(E)-3-hydroxy-3-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-enoic acid

C15H24O3 — CID 6434549

IUPAC(E)-3-hydroxy-3-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-enoic acid
SMILESCC1=CCC(/C=C/CC(C)(O)CC(=O)O)C1(C)C
InChIInChI=1S/C15H24O3/c1-11-7-8-12(14(11,2)3)6-5-9-15(4,18)10-13(16)17/h5-7,12,18H,8-10H2,1-4H3,(H,16,17)/b6-5+
InChIKeyAYDHQKBQCJIHDT-AATRIKPKSA-N
MW252.35 g/mol
LogP3.15
Rot. Bonds5

About (E)-3-hydroxy-3-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-enoic acid

(E)-3-hydroxy-3-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-enoic acid (PubChem CID 6434549) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (E)-3-hydroxy-3-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-enoic acid.

Molecular Properties

Compound Name(E)-3-hydroxy-3-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-enoic acid
PubChem CID6434549
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(E)-3-hydroxy-3-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-enoic acid
SMILESCC1=CCC(/C=C/CC(C)(O)CC(=O)O)C1(C)C
InChIInChI=1S/C15H24O3/c1-11-7-8-12(14(11,2)3)6-5-9-15(4,18)10-13(16)17/h5-7,12,18H,8-10H2,1-4H3,(H,16,17)/b6-5+
InChIKeyAYDHQKBQCJIHDT-AATRIKPKSA-N
XLogP3.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-hydroxy-3-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-enoic 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 (E)-3-hydroxy-3-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-enoic acid?
The IUPAC name of (E)-3-hydroxy-3-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-enoic acid (CID 6434549) is (E)-3-hydroxy-3-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-enoic acid.
What is the SMILES notation for (E)-3-hydroxy-3-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-enoic acid?
The canonical SMILES for (E)-3-hydroxy-3-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-enoic acid is CC1=CCC(/C=C/CC(C)(O)CC(=O)O)C1(C)C.
What is the InChIKey of (E)-3-hydroxy-3-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-enoic acid?
The InChIKey is AYDHQKBQCJIHDT-AATRIKPKSA-N. The full InChI is InChI=1S/C15H24O3/c1-11-7-8-12(14(11,2)3)6-5-9-15(4,18)10-13(16)17/h5-7,12,18H,8-10H2,1-4H3,(H,16,17)/b6-5+.
What are the key properties of (E)-3-hydroxy-3-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-enoic acid?
(E)-3-hydroxy-3-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-enoic acid has a molecular weight of 252.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-3-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-enoic acid is sourced from PubChem (CID 6434549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).