5-methyl-5-(4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-one

C27H44O2 — CID 163046089

IUPAC5-methyl-5-(4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-one
SMILESCC1(C)CCCC2(C)C1CCC1(C)C2CCC2C(C3(C)CCC(=O)O3)CCC21C
InChIInChI=1S/C27H44O2/c1-23(2)13-7-14-24(3)20(23)11-16-26(5)21(24)9-8-18-19(10-15-25(18,26)4)27(6)17-12-22(28)29-27/h18-21H,7-17H2,1-6H3
InChIKeyJHZLTLJQHVVBKP-UHFFFAOYSA-N
MW400.65 g/mol
LogP7.16
Rot. Bonds1

About 5-methyl-5-(4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-one

5-methyl-5-(4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-one (PubChem CID 163046089) has the molecular formula C27H44O2 and a molecular weight of 400.65 g/mol. Its IUPAC name is 5-methyl-5-(4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-one.

Molecular Properties

Compound Name5-methyl-5-(4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-one
PubChem CID163046089
Molecular FormulaC27H44O2
Molecular Weight400.65 g/mol
Exact Mass400.33
IUPAC Name5-methyl-5-(4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-one
SMILESCC1(C)CCCC2(C)C1CCC1(C)C2CCC2C(C3(C)CCC(=O)O3)CCC21C
InChIInChI=1S/C27H44O2/c1-23(2)13-7-14-24(3)20(23)11-16-26(5)21(24)9-8-18-19(10-15-25(18,26)4)27(6)17-12-22(28)29-27/h18-21H,7-17H2,1-6H3
InChIKeyJHZLTLJQHVVBKP-UHFFFAOYSA-N
XLogP7.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.65
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-5-(4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-one?
The IUPAC name of 5-methyl-5-(4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-one (CID 163046089) is 5-methyl-5-(4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-one.
What is the SMILES notation for 5-methyl-5-(4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-one?
The canonical SMILES for 5-methyl-5-(4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-one is CC1(C)CCCC2(C)C1CCC1(C)C2CCC2C(C3(C)CCC(=O)O3)CCC21C.
What is the InChIKey of 5-methyl-5-(4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-one?
The InChIKey is JHZLTLJQHVVBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44O2/c1-23(2)13-7-14-24(3)20(23)11-16-26(5)21(24)9-8-18-19(10-15-25(18,26)4)27(6)17-12-22(28)29-27/h18-21H,7-17H2,1-6H3.
What are the key properties of 5-methyl-5-(4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-one?
5-methyl-5-(4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-one has a molecular weight of 400.65 g/mol, XLogP of 7.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-one is sourced from PubChem (CID 163046089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).