6-ethyl-5-methylpentacyclo[8.7.0.01,13.02,10.05,9]heptadec-13-ene

C20H30 — CID 144673630

IUPAC6-ethyl-5-methylpentacyclo[8.7.0.01,13.02,10.05,9]heptadec-13-ene
SMILESCCC1CCC2C1(C)CCC1C34CCCC=C3CCC214
InChIInChI=1S/C20H30/c1-3-14-7-8-16-18(14,2)12-10-17-19-11-5-4-6-15(19)9-13-20(16,17)19/h6,14,16-17H,3-5,7-13H2,1-2H3
InChIKeySLVCQICJDKLXOB-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.73
Rot. Bonds1

About 6-ethyl-5-methylpentacyclo[8.7.0.01,13.02,10.05,9]heptadec-13-ene

6-ethyl-5-methylpentacyclo[8.7.0.01,13.02,10.05,9]heptadec-13-ene (PubChem CID 144673630) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 6-ethyl-5-methylpentacyclo[8.7.0.01,13.02,10.05,9]heptadec-13-ene.

Molecular Properties

Compound Name6-ethyl-5-methylpentacyclo[8.7.0.01,13.02,10.05,9]heptadec-13-ene
PubChem CID144673630
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name6-ethyl-5-methylpentacyclo[8.7.0.01,13.02,10.05,9]heptadec-13-ene
SMILESCCC1CCC2C1(C)CCC1C34CCCC=C3CCC214
InChIInChI=1S/C20H30/c1-3-14-7-8-16-18(14,2)12-10-17-19-11-5-4-6-15(19)9-13-20(16,17)19/h6,14,16-17H,3-5,7-13H2,1-2H3
InChIKeySLVCQICJDKLXOB-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-ethyl-5-methylpentacyclo[8.7.0.01,13.02,10.05,9]heptadec-13-ene with MolForge

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

Launch Full Analysis

Related Compounds

(7S,8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-ol
CID 172841374
17-ethyl-5,8,10,13-tetramethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 142478882
(8R,9S,10R,13R,14S,17S)-17-ethyl-13-methyl-1,2,3,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
CID 54092351
(8S,9S,10R,13R,14S,17S)-17-ethyl-6-fluoro-10,13-dimethyl-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
CID 163515101
(8S,9S,10R,13R,14S,17S)-1-chloro-17-ethyl-10,13-dimethyl-4,7,8,9,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene
CID 70612295
(7aR)-1-ethyl-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 148971058
5-ethyl-6,12-dimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-9,11,14-trien-13-one
CID 91565455
4-(cyclohexen-1-yl)-3-ethylpiperidin-4-ol
CID 106651647
1-[1-(cyclohexen-1-yl)-2-ethylcyclopropyl]-N-methylmethanamine
CID 116662200
(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
5,6-diethyl-13-methylpentacyclo[8.8.0.01,13.02,10.05,9]octadecan-16-one
CID 155751135
ethane;ethene;(10R,13R,17S)-10-ethyl-8,13-dimethyl-17-(5-methylhexyl)-1,2,3,4,7,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;molecular hydrogen
CID 143210143

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methylpentacyclo[8.7.0.01,13.02,10.05,9]heptadec-13-ene?
The IUPAC name of 6-ethyl-5-methylpentacyclo[8.7.0.01,13.02,10.05,9]heptadec-13-ene (CID 144673630) is 6-ethyl-5-methylpentacyclo[8.7.0.01,13.02,10.05,9]heptadec-13-ene.
What is the SMILES notation for 6-ethyl-5-methylpentacyclo[8.7.0.01,13.02,10.05,9]heptadec-13-ene?
The canonical SMILES for 6-ethyl-5-methylpentacyclo[8.7.0.01,13.02,10.05,9]heptadec-13-ene is CCC1CCC2C1(C)CCC1C34CCCC=C3CCC214.
What is the InChIKey of 6-ethyl-5-methylpentacyclo[8.7.0.01,13.02,10.05,9]heptadec-13-ene?
The InChIKey is SLVCQICJDKLXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30/c1-3-14-7-8-16-18(14,2)12-10-17-19-11-5-4-6-15(19)9-13-20(16,17)19/h6,14,16-17H,3-5,7-13H2,1-2H3.
What are the key properties of 6-ethyl-5-methylpentacyclo[8.7.0.01,13.02,10.05,9]heptadec-13-ene?
6-ethyl-5-methylpentacyclo[8.7.0.01,13.02,10.05,9]heptadec-13-ene has a molecular weight of 270.46 g/mol, XLogP of 5.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methylpentacyclo[8.7.0.01,13.02,10.05,9]heptadec-13-ene is sourced from PubChem (CID 144673630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).