3,4,4,10,13-pentamethyl-17-propan-2-yl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene

C25H42 — CID 143115274

IUPAC3,4,4,10,13-pentamethyl-17-propan-2-yl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
SMILESCC(C)C1CCC2C3=CCC4C(C)(C)C(C)CCC4(C)C3CCC21C
InChIInChI=1S/C25H42/c1-16(2)19-9-10-20-18-8-11-22-23(4,5)17(3)12-14-25(22,7)21(18)13-15-24(19,20)6/h8,16-17,19-22H,9-15H2,1-7H3
InChIKeyRYEOQHNRWWKLPQ-UHFFFAOYSA-N
MW342.61 g/mol
LogP7.49
Rot. Bonds1

About 3,4,4,10,13-pentamethyl-17-propan-2-yl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene

3,4,4,10,13-pentamethyl-17-propan-2-yl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene (PubChem CID 143115274) has the molecular formula C25H42 and a molecular weight of 342.61 g/mol. Its IUPAC name is 3,4,4,10,13-pentamethyl-17-propan-2-yl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene.

Molecular Properties

Compound Name3,4,4,10,13-pentamethyl-17-propan-2-yl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
PubChem CID143115274
Molecular FormulaC25H42
Molecular Weight342.61 g/mol
Exact Mass342.33
IUPAC Name3,4,4,10,13-pentamethyl-17-propan-2-yl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
SMILESCC(C)C1CCC2C3=CCC4C(C)(C)C(C)CCC4(C)C3CCC21C
InChIInChI=1S/C25H42/c1-16(2)19-9-10-20-18-8-11-22-23(4,5)17(3)12-14-25(22,7)21(18)13-15-24(19,20)6/h8,16-17,19-22H,9-15H2,1-7H3
InChIKeyRYEOQHNRWWKLPQ-UHFFFAOYSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,4,4,10,13-pentamethyl-17-propan-2-yl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene 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

(9R,10S,13R,14R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
CID 173249101
[(3S,9R,10R,13R,14R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
CID 22212554
(3S,4S,5R,9R,10R,13R,14R,17R)-3-hydroxy-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-4-carbaldehyde
CID 21145202
(9R,10S,13R,14R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 141108940
17-(5,6-dimethylheptan-2-yl)-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 143437932
(1R,3aS,5aR,8aR,8bS,10aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-8a,10a-dimethyl-1,2,3,3a,5,5a,6,7,8,8b,9,10-dodecahydroindeno[5,4-e]indene
CID 95563086
(8aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-8a,10a-dimethyl-1,2,3,3a,5,5a,6,7,8,8b,9,10-dodecahydroindeno[5,4-e]indene
CID 45044030
(3S,10S,13R)-17-[(2R)-1-hydroxypropan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 169180151
(3R,3aR,5aS,5bR,7aR,9S,11aR,11bR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
CID 162962580
(3S,4S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 68830185
(3R,3aR,5aS,5bR,9S,11aR,11bR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
CID 42608300
(3S,4S,5S,9S,10R,13S,14R,17R)-17-[(2R,4R)-4-ethyl-5-methylhexan-2-yl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 163082357

Frequently Asked Questions

What is the IUPAC name of 3,4,4,10,13-pentamethyl-17-propan-2-yl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene?
The IUPAC name of 3,4,4,10,13-pentamethyl-17-propan-2-yl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene (CID 143115274) is 3,4,4,10,13-pentamethyl-17-propan-2-yl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene.
What is the SMILES notation for 3,4,4,10,13-pentamethyl-17-propan-2-yl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene?
The canonical SMILES for 3,4,4,10,13-pentamethyl-17-propan-2-yl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene is CC(C)C1CCC2C3=CCC4C(C)(C)C(C)CCC4(C)C3CCC21C.
What is the InChIKey of 3,4,4,10,13-pentamethyl-17-propan-2-yl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene?
The InChIKey is RYEOQHNRWWKLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42/c1-16(2)19-9-10-20-18-8-11-22-23(4,5)17(3)12-14-25(22,7)21(18)13-15-24(19,20)6/h8,16-17,19-22H,9-15H2,1-7H3.
What are the key properties of 3,4,4,10,13-pentamethyl-17-propan-2-yl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene?
3,4,4,10,13-pentamethyl-17-propan-2-yl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene has a molecular weight of 342.61 g/mol, XLogP of 7.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,10,13-pentamethyl-17-propan-2-yl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene is sourced from PubChem (CID 143115274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).