(7Z)-3-ethyl-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalene

C23H36 — CID 143236819

IUPAC(7Z)-3-ethyl-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalene
SMILESC=C/C=C1/CCC2C(=CCC3(C)C(CC)CCC23)C1(C)CCC
InChIInChI=1S/C23H36/c1-6-9-18-10-12-19-20-13-11-17(8-3)23(20,5)16-14-21(19)22(18,4)15-7-2/h6,9,14,17,19-20H,1,7-8,10-13,15-16H2,2-5H3/b18-9-
InChIKeyOMORWFAVBOTQIP-NVMNQCDNSA-N
MW312.54 g/mol
LogP7.09
Rot. Bonds4

About (7Z)-3-ethyl-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalene

(7Z)-3-ethyl-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalene (PubChem CID 143236819) has the molecular formula C23H36 and a molecular weight of 312.54 g/mol. Its IUPAC name is (7Z)-3-ethyl-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalene.

Molecular Properties

Compound Name(7Z)-3-ethyl-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalene
PubChem CID143236819
Molecular FormulaC23H36
Molecular Weight312.54 g/mol
Exact Mass312.28
IUPAC Name(7Z)-3-ethyl-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalene
SMILESC=C/C=C1/CCC2C(=CCC3(C)C(CC)CCC23)C1(C)CCC
InChIInChI=1S/C23H36/c1-6-9-18-10-12-19-20-13-11-17(8-3)23(20,5)16-14-21(19)22(18,4)15-7-2/h6,9,14,17,19-20H,1,7-8,10-13,15-16H2,2-5H3/b18-9-
InChIKeyOMORWFAVBOTQIP-NVMNQCDNSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (7Z)-3-ethyl-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalene with MolForge

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Related Compounds

(7Z,9R)-3a,6,9-trimethyl-3-(2-methylidenebutyl)-7-prop-2-enylidene-6-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalene;ethane
CID 143113717
(17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
CID 123443908
10,13-dimethyl-3-methylidene-17-propyl-1,2,4,5,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;ethane;ethene;methanamine
CID 142566753
1-[(7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]-N-(6-fluoro-6-methyloctyl)ethanimine
CID 168883709
3-hydroxy-3a,6,6-trimethyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-7-one
CID 71450978
2-ethenyl-5-ethyl-1-methyl-1-propylcyclopentane
CID 143896493
17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 620772
17-but-1-en-2-yl-10,13-dimethyl-3-methylidene-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
CID 143915274
(8S,9R,10S,13R,14S,17S)-17-ethyl-9-fluoro-10,13-dimethyl-3,6,7,8,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
CID 22790924
1-[4-[(7Z)-3,3a,6-trimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine
CID 166655611
(8S,9S,10R,13R,14S,17S)-17-ethyl-3-methoxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
CID 54044201
(3R,5R,8S,10S,13R,14S)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-3-phosphoroso-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 58320998

Frequently Asked Questions

What is the IUPAC name of (7Z)-3-ethyl-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalene?
The IUPAC name of (7Z)-3-ethyl-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalene (CID 143236819) is (7Z)-3-ethyl-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalene.
What is the SMILES notation for (7Z)-3-ethyl-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalene?
The canonical SMILES for (7Z)-3-ethyl-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalene is C=C/C=C1/CCC2C(=CCC3(C)C(CC)CCC23)C1(C)CCC.
What is the InChIKey of (7Z)-3-ethyl-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalene?
The InChIKey is OMORWFAVBOTQIP-NVMNQCDNSA-N. The full InChI is InChI=1S/C23H36/c1-6-9-18-10-12-19-20-13-11-17(8-3)23(20,5)16-14-21(19)22(18,4)15-7-2/h6,9,14,17,19-20H,1,7-8,10-13,15-16H2,2-5H3/b18-9-.
What are the key properties of (7Z)-3-ethyl-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalene?
(7Z)-3-ethyl-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalene has a molecular weight of 312.54 g/mol, XLogP of 7.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-3-ethyl-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalene is sourced from PubChem (CID 143236819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).