1-cyclopentylpentane-2,2-diol

C10H20O2 — CID 174302117

IUPAC1-cyclopentylpentane-2,2-diol
SMILESCCCC(O)(O)CC1CCCC1
InChIInChI=1S/C10H20O2/c1-2-7-10(11,12)8-9-5-3-4-6-9/h9,11-12H,2-8H2,1H3
InChIKeyZBJNLHVZPNTZOY-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.05
Rot. Bonds4

About 1-cyclopentylpentane-2,2-diol

1-cyclopentylpentane-2,2-diol (PubChem CID 174302117) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-cyclopentylpentane-2,2-diol.

Molecular Properties

Compound Name1-cyclopentylpentane-2,2-diol
PubChem CID174302117
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-cyclopentylpentane-2,2-diol
SMILESCCCC(O)(O)CC1CCCC1
InChIInChI=1S/C10H20O2/c1-2-7-10(11,12)8-9-5-3-4-6-9/h9,11-12H,2-8H2,1H3
InChIKeyZBJNLHVZPNTZOY-UHFFFAOYSA-N
XLogP2.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylpentane-2,2-diol?
The IUPAC name of 1-cyclopentylpentane-2,2-diol (CID 174302117) is 1-cyclopentylpentane-2,2-diol.
What is the SMILES notation for 1-cyclopentylpentane-2,2-diol?
The canonical SMILES for 1-cyclopentylpentane-2,2-diol is CCCC(O)(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentylpentane-2,2-diol?
The InChIKey is ZBJNLHVZPNTZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-7-10(11,12)8-9-5-3-4-6-9/h9,11-12H,2-8H2,1H3.
What are the key properties of 1-cyclopentylpentane-2,2-diol?
1-cyclopentylpentane-2,2-diol has a molecular weight of 172.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylpentane-2,2-diol is sourced from PubChem (CID 174302117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).