(9R)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane

C25H50 — CID 166092042

IUPAC(9R)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane
SMILESCC.CC.CC.CC12CCCC1C1CCC3CCCCC3[C@@]1(C)CC2
InChIInChI=1S/C19H32.3C2H6/c1-18-11-5-8-16(18)17-10-9-14-6-3-4-7-15(14)19(17,2)13-12-18;3*1-2/h14-17H,3-13H2,1-2H3;3*1-2H3/t14?,15?,16?,17?,18?,19-;;;/m1.../s1
InChIKeyCZADYOBYUQHVMQ-XBBHWSHZSA-N
MW350.68 g/mol
LogP8.89
Rot. Bonds

About (9R)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane

(9R)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane (PubChem CID 166092042) has the molecular formula C25H50 and a molecular weight of 350.68 g/mol. Its IUPAC name is (9R)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane.

Molecular Properties

Compound Name(9R)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane
PubChem CID166092042
Molecular FormulaC25H50
Molecular Weight350.68 g/mol
Exact Mass350.39
IUPAC Name(9R)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane
SMILESCC.CC.CC.CC12CCCC1C1CCC3CCCCC3[C@@]1(C)CC2
InChIInChI=1S/C19H32.3C2H6/c1-18-11-5-8-16(18)17-10-9-14-6-3-4-7-15(14)19(17,2)13-12-18;3*1-2/h14-17H,3-13H2,1-2H3;3*1-2H3/t14?,15?,16?,17?,18?,19-;;;/m1.../s1
InChIKeyCZADYOBYUQHVMQ-XBBHWSHZSA-N
XLogP8.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.68
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (9R)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane with MolForge

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Related Compounds

(9R,13S)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 162452990
(9S,13S)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 162452993
1,2-dicyclohexyl-1-methylcyclohexane
CID 173420914
acetylene;(8R,9R,10S,13S,14S)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene
CID 173234052
2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane
CID 168971709
(5aR)-3a,5a,8,8,11a-pentamethyl-2,3,4,5,5b,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-ol;formic acid;prop-1-ene
CID 144908713
6,6,9a-trimethyl-2,3,3a,4,5,5a,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalene
CID 140589212
[2-(1-methylcyclopropyl)cyclopropyl]cyclohexane
CID 91539241
2-cyclopropyl-2-methylbicyclo[3.2.0]heptane
CID 149005122
(4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 143298757
(2R,6S)-2-methyltricyclo[5.2.1.02,6]decane
CID 58931798
(6S,8S,9S,10R,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6-carbonitrile
CID 141192415

Frequently Asked Questions

What is the IUPAC name of (9R)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane?
The IUPAC name of (9R)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane (CID 166092042) is (9R)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane.
What is the SMILES notation for (9R)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane?
The canonical SMILES for (9R)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane is CC.CC.CC.CC12CCCC1C1CCC3CCCCC3[C@@]1(C)CC2.
What is the InChIKey of (9R)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane?
The InChIKey is CZADYOBYUQHVMQ-XBBHWSHZSA-N. The full InChI is InChI=1S/C19H32.3C2H6/c1-18-11-5-8-16(18)17-10-9-14-6-3-4-7-15(14)19(17,2)13-12-18;3*1-2/h14-17H,3-13H2,1-2H3;3*1-2H3/t14?,15?,16?,17?,18?,19-;;;/m1.../s1.
What are the key properties of (9R)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane?
(9R)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane has a molecular weight of 350.68 g/mol, XLogP of 8.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane is sourced from PubChem (CID 166092042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).