2-(2-cyclopent-2-en-1-yl-3,3-dimethylbutan-2-yl)-2-hydroxy-3,3,4,4-tetramethylpentanoic acid

C20H36O3 — CID 91016735

IUPAC2-(2-cyclopent-2-en-1-yl-3,3-dimethylbutan-2-yl)-2-hydroxy-3,3,4,4-tetramethylpentanoic acid
SMILESCC(C)(C)C(C)(C)C(O)(C(=O)O)C(C)(C1C=CCC1)C(C)(C)C
InChIInChI=1S/C20H36O3/c1-16(2,3)18(7,8)20(23,15(21)22)19(9,17(4,5)6)14-12-10-11-13-14/h10,12,14,23H,11,13H2,1-9H3,(H,21,22)
InChIKeyVVEPOLYDXIFGMN-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.89
Rot. Bonds4

About 2-(2-cyclopent-2-en-1-yl-3,3-dimethylbutan-2-yl)-2-hydroxy-3,3,4,4-tetramethylpentanoic acid

2-(2-cyclopent-2-en-1-yl-3,3-dimethylbutan-2-yl)-2-hydroxy-3,3,4,4-tetramethylpentanoic acid (PubChem CID 91016735) has the molecular formula C20H36O3 and a molecular weight of 324.51 g/mol. Its IUPAC name is 2-(2-cyclopent-2-en-1-yl-3,3-dimethylbutan-2-yl)-2-hydroxy-3,3,4,4-tetramethylpentanoic acid.

Molecular Properties

Compound Name2-(2-cyclopent-2-en-1-yl-3,3-dimethylbutan-2-yl)-2-hydroxy-3,3,4,4-tetramethylpentanoic acid
PubChem CID91016735
Molecular FormulaC20H36O3
Molecular Weight324.51 g/mol
Exact Mass324.27
IUPAC Name2-(2-cyclopent-2-en-1-yl-3,3-dimethylbutan-2-yl)-2-hydroxy-3,3,4,4-tetramethylpentanoic acid
SMILESCC(C)(C)C(C)(C)C(O)(C(=O)O)C(C)(C1C=CCC1)C(C)(C)C
InChIInChI=1S/C20H36O3/c1-16(2,3)18(7,8)20(23,15(21)22)19(9,17(4,5)6)14-12-10-11-13-14/h10,12,14,23H,11,13H2,1-9H3,(H,21,22)
InChIKeyVVEPOLYDXIFGMN-UHFFFAOYSA-N
XLogP4.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-cyclopent-2-en-1-yl-3,3-dimethylbutan-2-yl)-2-hydroxy-3,3,4,4-tetramethylpentanoic acid 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 2-(2-cyclopent-2-en-1-yl-3,3-dimethylbutan-2-yl)-2-hydroxy-3,3,4,4-tetramethylpentanoic acid?
The IUPAC name of 2-(2-cyclopent-2-en-1-yl-3,3-dimethylbutan-2-yl)-2-hydroxy-3,3,4,4-tetramethylpentanoic acid (CID 91016735) is 2-(2-cyclopent-2-en-1-yl-3,3-dimethylbutan-2-yl)-2-hydroxy-3,3,4,4-tetramethylpentanoic acid.
What is the SMILES notation for 2-(2-cyclopent-2-en-1-yl-3,3-dimethylbutan-2-yl)-2-hydroxy-3,3,4,4-tetramethylpentanoic acid?
The canonical SMILES for 2-(2-cyclopent-2-en-1-yl-3,3-dimethylbutan-2-yl)-2-hydroxy-3,3,4,4-tetramethylpentanoic acid is CC(C)(C)C(C)(C)C(O)(C(=O)O)C(C)(C1C=CCC1)C(C)(C)C.
What is the InChIKey of 2-(2-cyclopent-2-en-1-yl-3,3-dimethylbutan-2-yl)-2-hydroxy-3,3,4,4-tetramethylpentanoic acid?
The InChIKey is VVEPOLYDXIFGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3/c1-16(2,3)18(7,8)20(23,15(21)22)19(9,17(4,5)6)14-12-10-11-13-14/h10,12,14,23H,11,13H2,1-9H3,(H,21,22).
What are the key properties of 2-(2-cyclopent-2-en-1-yl-3,3-dimethylbutan-2-yl)-2-hydroxy-3,3,4,4-tetramethylpentanoic acid?
2-(2-cyclopent-2-en-1-yl-3,3-dimethylbutan-2-yl)-2-hydroxy-3,3,4,4-tetramethylpentanoic acid has a molecular weight of 324.51 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopent-2-en-1-yl-3,3-dimethylbutan-2-yl)-2-hydroxy-3,3,4,4-tetramethylpentanoic acid is sourced from PubChem (CID 91016735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).