(7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-ol;ethane;2-ethylsulfanyl-3,4-dihydroquinoline

C34H53NOS — CID 143830024

IUPAC(7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-ol;ethane;2-ethylsulfanyl-3,4-dihydroquinoline
SMILESC=C/C=C1/CCC2C3CCCC3(C)CC(O)C2C1(C)CCC.CC.CCSC1=Nc2ccccc2CC1
InChIInChI=1S/C21H34O.C11H13NS.C2H6/c1-5-8-15-10-11-16-17-9-7-13-20(17,3)14-18(22)19(16)21(15,4)12-6-2;1-2-13-11-8-7-9-5-3-4-6-10(9)12-11;1-2/h5,8,16-19,22H,1,6-7,9-14H2,2-4H3;3-6H,2,7-8H2,1H3;1-2H3/b15-8-;;
InChIKeyFFYPRCWSKFVVFB-FVNMCKKKSA-N
MW523.87 g/mol
LogP9.94
Rot. Bonds4

About (7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-ol;ethane;2-ethylsulfanyl-3,4-dihydroquinoline

(7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-ol;ethane;2-ethylsulfanyl-3,4-dihydroquinoline (PubChem CID 143830024) has the molecular formula C34H53NOS and a molecular weight of 523.87 g/mol. Its IUPAC name is (7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-ol;ethane;2-ethylsulfanyl-3,4-dihydroquinoline.

Molecular Properties

Compound Name(7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-ol;ethane;2-ethylsulfanyl-3,4-dihydroquinoline
PubChem CID143830024
Molecular FormulaC34H53NOS
Molecular Weight523.87 g/mol
Exact Mass523.38
IUPAC Name(7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-ol;ethane;2-ethylsulfanyl-3,4-dihydroquinoline
SMILESC=C/C=C1/CCC2C3CCCC3(C)CC(O)C2C1(C)CCC.CC.CCSC1=Nc2ccccc2CC1
InChIInChI=1S/C21H34O.C11H13NS.C2H6/c1-5-8-15-10-11-16-17-9-7-13-20(17,3)14-18(22)19(16)21(15,4)12-6-2;1-2-13-11-8-7-9-5-3-4-6-10(9)12-11;1-2/h5,8,16-19,22H,1,6-7,9-14H2,2-4H3;3-6H,2,7-8H2,1H3;1-2H3/b15-8-;;
InChIKeyFFYPRCWSKFVVFB-FVNMCKKKSA-N
XLogP9.94
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.87
LogP ≤ 59.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-ol;ethane;2-ethylsulfanyl-3,4-dihydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-ol;ethane;2-ethylsulfanyl-3,4-dihydroquinoline?
The IUPAC name of (7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-ol;ethane;2-ethylsulfanyl-3,4-dihydroquinoline (CID 143830024) is (7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-ol;ethane;2-ethylsulfanyl-3,4-dihydroquinoline.
What is the SMILES notation for (7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-ol;ethane;2-ethylsulfanyl-3,4-dihydroquinoline?
The canonical SMILES for (7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-ol;ethane;2-ethylsulfanyl-3,4-dihydroquinoline is C=C/C=C1/CCC2C3CCCC3(C)CC(O)C2C1(C)CCC.CC.CCSC1=Nc2ccccc2CC1.
What is the InChIKey of (7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-ol;ethane;2-ethylsulfanyl-3,4-dihydroquinoline?
The InChIKey is FFYPRCWSKFVVFB-FVNMCKKKSA-N. The full InChI is InChI=1S/C21H34O.C11H13NS.C2H6/c1-5-8-15-10-11-16-17-9-7-13-20(17,3)14-18(22)19(16)21(15,4)12-6-2;1-2-13-11-8-7-9-5-3-4-6-10(9)12-11;1-2/h5,8,16-19,22H,1,6-7,9-14H2,2-4H3;3-6H,2,7-8H2,1H3;1-2H3/b15-8-;;.
What are the key properties of (7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-ol;ethane;2-ethylsulfanyl-3,4-dihydroquinoline?
(7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-ol;ethane;2-ethylsulfanyl-3,4-dihydroquinoline has a molecular weight of 523.87 g/mol, XLogP of 9.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-ol;ethane;2-ethylsulfanyl-3,4-dihydroquinoline is sourced from PubChem (CID 143830024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).