2,2-dimethylpentane-1,5-diol

C7H16O2 — CID 10464381

IUPAC2,2-dimethylpentane-1,5-diol
SMILESCC(C)(CO)CCCO
InChIInChI=1S/C7H16O2/c1-7(2,6-9)4-3-5-8/h8-9H,3-6H2,1-2H3
InChIKeyQQOJDTOGFYCSAU-UHFFFAOYSA-N
MW132.20 g/mol
LogP0.78
Rot. Bonds4

About 2,2-dimethylpentane-1,5-diol

2,2-dimethylpentane-1,5-diol (PubChem CID 10464381) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 2,2-dimethylpentane-1,5-diol.

Molecular Properties

Compound Name2,2-dimethylpentane-1,5-diol
PubChem CID10464381
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name2,2-dimethylpentane-1,5-diol
SMILESCC(C)(CO)CCCO
InChIInChI=1S/C7H16O2/c1-7(2,6-9)4-3-5-8/h8-9H,3-6H2,1-2H3
InChIKeyQQOJDTOGFYCSAU-UHFFFAOYSA-N
XLogP0.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpentane-1,5-diol?
The IUPAC name of 2,2-dimethylpentane-1,5-diol (CID 10464381) is 2,2-dimethylpentane-1,5-diol.
What is the SMILES notation for 2,2-dimethylpentane-1,5-diol?
The canonical SMILES for 2,2-dimethylpentane-1,5-diol is CC(C)(CO)CCCO.
What is the InChIKey of 2,2-dimethylpentane-1,5-diol?
The InChIKey is QQOJDTOGFYCSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-7(2,6-9)4-3-5-8/h8-9H,3-6H2,1-2H3.
What are the key properties of 2,2-dimethylpentane-1,5-diol?
2,2-dimethylpentane-1,5-diol has a molecular weight of 132.20 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpentane-1,5-diol is sourced from PubChem (CID 10464381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).