(1R,3S)-2,2-dimethylcyclopent-4-ene-1,3-diol

C7H12O2 — CID 11768586

IUPAC(1R,3S)-2,2-dimethylcyclopent-4-ene-1,3-diol
SMILESCC1(C)[C@H](O)C=C[C@@H]1O
InChIInChI=1S/C7H12O2/c1-7(2)5(8)3-4-6(7)9/h3-6,8-9H,1-2H3/t5-,6+
InChIKeyJOYXOBUEQVUAHJ-OLQVQODUSA-N
MW128.17 g/mol
LogP0.30
Rot. Bonds

About (1R,3S)-2,2-dimethylcyclopent-4-ene-1,3-diol

(1R,3S)-2,2-dimethylcyclopent-4-ene-1,3-diol (PubChem CID 11768586) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (1R,3S)-2,2-dimethylcyclopent-4-ene-1,3-diol.

Molecular Properties

Compound Name(1R,3S)-2,2-dimethylcyclopent-4-ene-1,3-diol
PubChem CID11768586
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(1R,3S)-2,2-dimethylcyclopent-4-ene-1,3-diol
SMILESCC1(C)[C@H](O)C=C[C@@H]1O
InChIInChI=1S/C7H12O2/c1-7(2)5(8)3-4-6(7)9/h3-6,8-9H,1-2H3/t5-,6+
InChIKeyJOYXOBUEQVUAHJ-OLQVQODUSA-N
XLogP0.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.30
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 (1R,3S)-2,2-dimethylcyclopent-4-ene-1,3-diol?
The IUPAC name of (1R,3S)-2,2-dimethylcyclopent-4-ene-1,3-diol (CID 11768586) is (1R,3S)-2,2-dimethylcyclopent-4-ene-1,3-diol.
What is the SMILES notation for (1R,3S)-2,2-dimethylcyclopent-4-ene-1,3-diol?
The canonical SMILES for (1R,3S)-2,2-dimethylcyclopent-4-ene-1,3-diol is CC1(C)[C@H](O)C=C[C@@H]1O.
What is the InChIKey of (1R,3S)-2,2-dimethylcyclopent-4-ene-1,3-diol?
The InChIKey is JOYXOBUEQVUAHJ-OLQVQODUSA-N. The full InChI is InChI=1S/C7H12O2/c1-7(2)5(8)3-4-6(7)9/h3-6,8-9H,1-2H3/t5-,6+.
What are the key properties of (1R,3S)-2,2-dimethylcyclopent-4-ene-1,3-diol?
(1R,3S)-2,2-dimethylcyclopent-4-ene-1,3-diol has a molecular weight of 128.17 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-2,2-dimethylcyclopent-4-ene-1,3-diol is sourced from PubChem (CID 11768586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).