ethane;10,13,17-trimethyl-3-methylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene

C23H36 — CID 145295115

IUPACethane;10,13,17-trimethyl-3-methylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
SMILESC=C1C=C2C=CC3C(CCC4(C)C(C)CCC34)C2(C)CC1.CC
InChIInChI=1S/C21H30.C2H6/c1-14-9-11-21(4)16(13-14)6-7-17-18-8-5-15(2)20(18,3)12-10-19(17)21;1-2/h6-7,13,15,17-19H,1,5,8-12H2,2-4H3;1-2H3
InChIKeyHAVFPGKIGSOLPB-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.94
Rot. Bonds

About ethane;10,13,17-trimethyl-3-methylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene

ethane;10,13,17-trimethyl-3-methylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene (PubChem CID 145295115) has the molecular formula C23H36 and a molecular weight of 312.54 g/mol. Its IUPAC name is ethane;10,13,17-trimethyl-3-methylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene.

Molecular Properties

Compound Nameethane;10,13,17-trimethyl-3-methylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
PubChem CID145295115
Molecular FormulaC23H36
Molecular Weight312.54 g/mol
Exact Mass312.28
IUPAC Nameethane;10,13,17-trimethyl-3-methylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
SMILESC=C1C=C2C=CC3C(CCC4(C)C(C)CCC34)C2(C)CC1.CC
InChIInChI=1S/C21H30.C2H6/c1-14-9-11-21(4)16(13-14)6-7-17-18-8-5-15(2)20(18,3)12-10-19(17)21;1-2/h6-7,13,15,17-19H,1,5,8-12H2,2-4H3;1-2H3
InChIKeyHAVFPGKIGSOLPB-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;10,13,17-trimethyl-3-methylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene with MolForge

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Related Compounds

(8R,9R,10R,13S,14S)-10,13-dimethyl-3-methylidene-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-one
CID 57041810
actinium;17-hydroxy-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 59877657
methyl (8S,9R,10R,13S,14S)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carboxylate
CID 67859726
(10R,13S,17S)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carbonitrile
CID 25125951
(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carbonitrile
CID 46236154
(8S,9S,10R,13S,14R,17R)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 124514851
(8S,9R,10S,13S,14R,17S)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 11875278
17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one;prop-1-en-2-ol
CID 142850069
(8S,9S,10R,13R,14S,17R)-10,13,17-trimethyl-8,9,11,12,14,15,16,17-octahydro-3H-cyclopenta[a]phenanthrene
CID 11492722
(10R,13S,17S)-17-(1-iodoethyl)-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 59977056
(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-16-methylidene-3-oxo-2,8,9,11,12,14,15,17-octahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
CID 90906743
3-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-16-methylidene-3-oxo-2,8,9,11,12,14,15,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
CID 57007436

Frequently Asked Questions

What is the IUPAC name of ethane;10,13,17-trimethyl-3-methylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene?
The IUPAC name of ethane;10,13,17-trimethyl-3-methylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene (CID 145295115) is ethane;10,13,17-trimethyl-3-methylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene.
What is the SMILES notation for ethane;10,13,17-trimethyl-3-methylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene?
The canonical SMILES for ethane;10,13,17-trimethyl-3-methylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene is C=C1C=C2C=CC3C(CCC4(C)C(C)CCC34)C2(C)CC1.CC.
What is the InChIKey of ethane;10,13,17-trimethyl-3-methylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene?
The InChIKey is HAVFPGKIGSOLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30.C2H6/c1-14-9-11-21(4)16(13-14)6-7-17-18-8-5-15(2)20(18,3)12-10-19(17)21;1-2/h6-7,13,15,17-19H,1,5,8-12H2,2-4H3;1-2H3.
What are the key properties of ethane;10,13,17-trimethyl-3-methylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene?
ethane;10,13,17-trimethyl-3-methylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene has a molecular weight of 312.54 g/mol, XLogP of 6.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;10,13,17-trimethyl-3-methylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene is sourced from PubChem (CID 145295115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).