7-ethyl-5,10,13-trimethyl-17-methylidene-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene

C23H38 — CID 91493213

IUPAC7-ethyl-5,10,13-trimethyl-17-methylidene-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene
SMILESC=C1CCC2C3C(CC)CC4(C)CCCCC4(C)C3CCC12C
InChIInChI=1S/C23H38/c1-6-17-15-21(3)12-7-8-13-23(21,5)19-11-14-22(4)16(2)9-10-18(22)20(17)19/h17-20H,2,6-15H2,1,3-5H3
InChIKeyJVUAOZJSRAENBM-UHFFFAOYSA-N
MW314.56 g/mol
LogP7.00
Rot. Bonds1

About 7-ethyl-5,10,13-trimethyl-17-methylidene-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene

7-ethyl-5,10,13-trimethyl-17-methylidene-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene (PubChem CID 91493213) has the molecular formula C23H38 and a molecular weight of 314.56 g/mol. Its IUPAC name is 7-ethyl-5,10,13-trimethyl-17-methylidene-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene.

Molecular Properties

Compound Name7-ethyl-5,10,13-trimethyl-17-methylidene-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene
PubChem CID91493213
Molecular FormulaC23H38
Molecular Weight314.56 g/mol
Exact Mass314.30
IUPAC Name7-ethyl-5,10,13-trimethyl-17-methylidene-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene
SMILESC=C1CCC2C3C(CC)CC4(C)CCCCC4(C)C3CCC12C
InChIInChI=1S/C23H38/c1-6-17-15-21(3)12-7-8-13-23(21,5)19-11-14-22(4)16(2)9-10-18(22)20(17)19/h17-20H,2,6-15H2,1,3-5H3
InChIKeyJVUAOZJSRAENBM-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.56
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-10,13-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene
CID 91057403
10,13-dimethyl-17-methylidene-5-prop-1-en-2-yl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 91099562
5-but-3-enyl-10,13-dimethyl-17-methylidene-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 91008308
7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol
CID 143095782
(3S,10R,13S)-3,10,13-trimethyl-17-methylidene-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene
CID 59116721
(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene
CID 173324612
10,14-dimethyl-7,15-dimethylidenepentacyclo[9.7.0.02,4.05,10.014,18]octadecane
CID 123606397
cis-(1S,3S)-4-[(4R,7aS)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-3-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 88981978
3-[(10R,13S)-10,13-dimethyl-17-methylidene-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl]propanoic acid
CID 142417137
1-ethyl-2,4a,8a-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
CID 58078441
(3S,5S,6R,7R,8R,9S,10R,13S,14S)-10,13-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,6,7-triol
CID 130227125
14,19-dimethyl-8-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicosane
CID 142981628

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5,10,13-trimethyl-17-methylidene-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene?
The IUPAC name of 7-ethyl-5,10,13-trimethyl-17-methylidene-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene (CID 91493213) is 7-ethyl-5,10,13-trimethyl-17-methylidene-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene.
What is the SMILES notation for 7-ethyl-5,10,13-trimethyl-17-methylidene-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene?
The canonical SMILES for 7-ethyl-5,10,13-trimethyl-17-methylidene-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene is C=C1CCC2C3C(CC)CC4(C)CCCCC4(C)C3CCC12C.
What is the InChIKey of 7-ethyl-5,10,13-trimethyl-17-methylidene-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene?
The InChIKey is JVUAOZJSRAENBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38/c1-6-17-15-21(3)12-7-8-13-23(21,5)19-11-14-22(4)16(2)9-10-18(22)20(17)19/h17-20H,2,6-15H2,1,3-5H3.
What are the key properties of 7-ethyl-5,10,13-trimethyl-17-methylidene-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene?
7-ethyl-5,10,13-trimethyl-17-methylidene-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene has a molecular weight of 314.56 g/mol, XLogP of 7.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5,10,13-trimethyl-17-methylidene-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 91493213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).