(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[1-[(E)-5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pent-2-enyl]cyclopropyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

Update Time: 2025-04-25 16:33:36

	Common Name	(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[1-[(E)-5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pent-2-enyl]cyclopropyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol	English Name	(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[1-[(E)-5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pent-2-enyl]cyclopropyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
	CAS NO.	N/A	Molecular Weight	518.6
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₈H₃₆F₆O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[1-[(E)-5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pent-2-enyl]cyclopropyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

Molecular Formula	C28H36F6O2
Molecular Weight	518.6
Exact Mass	518.26194936
LogP	7.30
Standard SMILES	C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C1(CC=CC(O)(C(F)(F)F)C(F)(F)F)CC1
Canonical SMILES	CC12CCCC(=CC=C3CC(CCC3=C)O)C1CCC2C4(CC4)CC=CC(C(F)(F)F)(C(F)(F)F)O
Isomeric SMILES	C[C@]12CCC/C(=C\C=C/3\C[C@H](CCC3=C)O)/[C@@H]1CC[C@@H]2C4(CC4)C/C=C/C(C(F)(F)F)(C(F)(F)F)O
Standard InChI Identifier	InChI=1S/C28H36F6O2/c1-18-6-9-21(35)17-20(18)8-7-19-5-3-12-24(2)22(19)10-11-23(24)25(15-16-25)13-4-14-26(36,27(29,30)31)28(32,33)34/h4,7-8,14,21-23,35-36H,1,3,5-6,9-13,15-17H2,2H3/b14-4+,19-7+,20-8-/t21-,22-,23-,24-/m0/s1
Standard InChI Key	WPICNECFFYWFIO-ZMHAWUJJSA-N
Compound Complexity	938.00
computational chemistry	Hydrogen Bond Acceptor Count：8 Hydrogen Bond Donor Count：2 Rotatable Bond Count：5 Heavy Atom Count：36 Total Chiral Atom Count：4 Defined Chiral Atom Count：4 Undefined Chiral Atom Count：0 Total Chiral Bond Count：3 Defined Chiral Bond Count：3 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：518.26194936