(5S)-5-[(1R)-2-(hydroxymethyl)-4,4-dimethylcyclopent-2-en-1-yl]-5-methyl-4-methylidenecyclopent-2-en-1-one

C15H20O2 — CID 71467140

IUPAC(5S)-5-[(1R)-2-(hydroxymethyl)-4,4-dimethylcyclopent-2-en-1-yl]-5-methyl-4-methylidenecyclopent-2-en-1-one
SMILESC=C1C=CC(=O)[C@@]1(C)[C@@H]1CC(C)(C)C=C1CO
InChIInChI=1S/C15H20O2/c1-10-5-6-13(17)15(10,4)12-8-14(2,3)7-11(12)9-16/h5-7,12,16H,1,8-9H2,2-4H3/t12-,15-/m1/s1
InChIKeyMHQYVHBVEQNYQZ-IUODEOHRSA-N
MW232.32 g/mol
LogP2.65
Rot. Bonds2

About (5S)-5-[(1R)-2-(hydroxymethyl)-4,4-dimethylcyclopent-2-en-1-yl]-5-methyl-4-methylidenecyclopent-2-en-1-one

(5S)-5-[(1R)-2-(hydroxymethyl)-4,4-dimethylcyclopent-2-en-1-yl]-5-methyl-4-methylidenecyclopent-2-en-1-one (PubChem CID 71467140) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (5S)-5-[(1R)-2-(hydroxymethyl)-4,4-dimethylcyclopent-2-en-1-yl]-5-methyl-4-methylidenecyclopent-2-en-1-one.

Molecular Properties

Compound Name(5S)-5-[(1R)-2-(hydroxymethyl)-4,4-dimethylcyclopent-2-en-1-yl]-5-methyl-4-methylidenecyclopent-2-en-1-one
PubChem CID71467140
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(5S)-5-[(1R)-2-(hydroxymethyl)-4,4-dimethylcyclopent-2-en-1-yl]-5-methyl-4-methylidenecyclopent-2-en-1-one
SMILESC=C1C=CC(=O)[C@@]1(C)[C@@H]1CC(C)(C)C=C1CO
InChIInChI=1S/C15H20O2/c1-10-5-6-13(17)15(10,4)12-8-14(2,3)7-11(12)9-16/h5-7,12,16H,1,8-9H2,2-4H3/t12-,15-/m1/s1
InChIKeyMHQYVHBVEQNYQZ-IUODEOHRSA-N
XLogP2.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1R)-2-(hydroxymethyl)-4,4-dimethylcyclopent-2-en-1-yl]-5-methyl-4-methylidenecyclopent-2-en-1-one?
The IUPAC name of (5S)-5-[(1R)-2-(hydroxymethyl)-4,4-dimethylcyclopent-2-en-1-yl]-5-methyl-4-methylidenecyclopent-2-en-1-one (CID 71467140) is (5S)-5-[(1R)-2-(hydroxymethyl)-4,4-dimethylcyclopent-2-en-1-yl]-5-methyl-4-methylidenecyclopent-2-en-1-one.
What is the SMILES notation for (5S)-5-[(1R)-2-(hydroxymethyl)-4,4-dimethylcyclopent-2-en-1-yl]-5-methyl-4-methylidenecyclopent-2-en-1-one?
The canonical SMILES for (5S)-5-[(1R)-2-(hydroxymethyl)-4,4-dimethylcyclopent-2-en-1-yl]-5-methyl-4-methylidenecyclopent-2-en-1-one is C=C1C=CC(=O)[C@@]1(C)[C@@H]1CC(C)(C)C=C1CO.
What is the InChIKey of (5S)-5-[(1R)-2-(hydroxymethyl)-4,4-dimethylcyclopent-2-en-1-yl]-5-methyl-4-methylidenecyclopent-2-en-1-one?
The InChIKey is MHQYVHBVEQNYQZ-IUODEOHRSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-5-6-13(17)15(10,4)12-8-14(2,3)7-11(12)9-16/h5-7,12,16H,1,8-9H2,2-4H3/t12-,15-/m1/s1.
What are the key properties of (5S)-5-[(1R)-2-(hydroxymethyl)-4,4-dimethylcyclopent-2-en-1-yl]-5-methyl-4-methylidenecyclopent-2-en-1-one?
(5S)-5-[(1R)-2-(hydroxymethyl)-4,4-dimethylcyclopent-2-en-1-yl]-5-methyl-4-methylidenecyclopent-2-en-1-one has a molecular weight of 232.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1R)-2-(hydroxymethyl)-4,4-dimethylcyclopent-2-en-1-yl]-5-methyl-4-methylidenecyclopent-2-en-1-one is sourced from PubChem (CID 71467140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).