[(E,2S)-8-[(1S,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-6-methyloct-5-en-2-yl] acetate

Update Time: 2025-04-25 16:57:08

	Common Name	[(E,2S)-8-[(1S,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-6-methyloct-5-en-2-yl] acetate	English Name	[(E,2S)-8-[(1S,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-6-methyloct-5-en-2-yl] acetate
	CAS NO.	N/A	Molecular Weight	374.6
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₅H₄₂O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	[(E,2S)-8-[(1S,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-6-methyloct-5-en-2-yl] acetate

Molecular Formula	C25H42O2
Molecular Weight	374.6
Exact Mass	374.318480578
LogP	7.90
Standard SMILES	C=C1CCC2C(C)(C)CCCC2(C)C1CCC(C)=CCCC(C)OC(C)=O
Canonical SMILES	CC(CCC=C(C)CCC1C(=C)CCC2C1(CCCC2(C)C)C)OC(=O)C
Isomeric SMILES	C[C@@H](CC/C=C(\C)/CC[C@H]1C(=C)CC[C@H]2[C@]1(CCCC2(C)C)C)OC(=O)C
Standard InChI Identifier	InChI=1S/C25H42O2/c1-18(10-8-11-20(3)27-21(4)26)12-14-22-19(2)13-15-23-24(5,6)16-9-17-25(22,23)7/h10,20,22-23H,2,8-9,11-17H2,1,3-7H3/b18-10+/t20-,22-,23+,25-/m0/s1
Standard InChI Key	FCPHMAOZUSIKSS-YEJLSDCASA-N
Compound Complexity	571.00
computational chemistry	Hydrogen Bond Acceptor Count：2 Hydrogen Bond Donor Count：0 Rotatable Bond Count：8 Heavy Atom Count：27 Total Chiral Atom Count：4 Defined Chiral Atom Count：4 Undefined Chiral Atom Count：0 Total Chiral Bond Count：1 Defined Chiral Bond Count：1 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：374.318480578