(5S)-5-(hydroxymethyl)-5-methylcyclopent-2-en-1-ol

C7H12O2 — CID 101403079

IUPAC(5S)-5-(hydroxymethyl)-5-methylcyclopent-2-en-1-ol
SMILESC[C@@]1(CO)CC=CC1O
InChIInChI=1S/C7H12O2/c1-7(5-8)4-2-3-6(7)9/h2-3,6,8-9H,4-5H2,1H3/t6?,7-/m0/s1
InChIKeyPNRSOKOUQSSPSO-MLWJPKLSSA-N
MW128.17 g/mol
LogP0.31
Rot. Bonds1

About (5S)-5-(hydroxymethyl)-5-methylcyclopent-2-en-1-ol

(5S)-5-(hydroxymethyl)-5-methylcyclopent-2-en-1-ol (PubChem CID 101403079) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (5S)-5-(hydroxymethyl)-5-methylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(5S)-5-(hydroxymethyl)-5-methylcyclopent-2-en-1-ol
PubChem CID101403079
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(5S)-5-(hydroxymethyl)-5-methylcyclopent-2-en-1-ol
SMILESC[C@@]1(CO)CC=CC1O
InChIInChI=1S/C7H12O2/c1-7(5-8)4-2-3-6(7)9/h2-3,6,8-9H,4-5H2,1H3/t6?,7-/m0/s1
InChIKeyPNRSOKOUQSSPSO-MLWJPKLSSA-N
XLogP0.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.31
H-Bond Donors ≤ 52
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-(hydroxymethyl)-5-methylcyclopent-2-en-1-ol?
The IUPAC name of (5S)-5-(hydroxymethyl)-5-methylcyclopent-2-en-1-ol (CID 101403079) is (5S)-5-(hydroxymethyl)-5-methylcyclopent-2-en-1-ol.
What is the SMILES notation for (5S)-5-(hydroxymethyl)-5-methylcyclopent-2-en-1-ol?
The canonical SMILES for (5S)-5-(hydroxymethyl)-5-methylcyclopent-2-en-1-ol is C[C@@]1(CO)CC=CC1O.
What is the InChIKey of (5S)-5-(hydroxymethyl)-5-methylcyclopent-2-en-1-ol?
The InChIKey is PNRSOKOUQSSPSO-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H12O2/c1-7(5-8)4-2-3-6(7)9/h2-3,6,8-9H,4-5H2,1H3/t6?,7-/m0/s1.
What are the key properties of (5S)-5-(hydroxymethyl)-5-methylcyclopent-2-en-1-ol?
(5S)-5-(hydroxymethyl)-5-methylcyclopent-2-en-1-ol has a molecular weight of 128.17 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(hydroxymethyl)-5-methylcyclopent-2-en-1-ol is sourced from PubChem (CID 101403079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).