1-(2-hydroxyethoxy)pentan-2-ol

C7H16O3 — CID 22352796

IUPAC1-(2-hydroxyethoxy)pentan-2-ol
SMILESCCCC(O)COCCO
InChIInChI=1S/C7H16O3/c1-2-3-7(9)6-10-5-4-8/h7-9H,2-6H2,1H3
InChIKeyMIVJAXJQPQOBNY-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.16
Rot. Bonds6

About 1-(2-hydroxyethoxy)pentan-2-ol

1-(2-hydroxyethoxy)pentan-2-ol (PubChem CID 22352796) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-(2-hydroxyethoxy)pentan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxyethoxy)pentan-2-ol
PubChem CID22352796
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name1-(2-hydroxyethoxy)pentan-2-ol
SMILESCCCC(O)COCCO
InChIInChI=1S/C7H16O3/c1-2-3-7(9)6-10-5-4-8/h7-9H,2-6H2,1H3
InChIKeyMIVJAXJQPQOBNY-UHFFFAOYSA-N
XLogP0.16
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxyethoxy)pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxy)pentan-2-ol?
The IUPAC name of 1-(2-hydroxyethoxy)pentan-2-ol (CID 22352796) is 1-(2-hydroxyethoxy)pentan-2-ol.
What is the SMILES notation for 1-(2-hydroxyethoxy)pentan-2-ol?
The canonical SMILES for 1-(2-hydroxyethoxy)pentan-2-ol is CCCC(O)COCCO.
What is the InChIKey of 1-(2-hydroxyethoxy)pentan-2-ol?
The InChIKey is MIVJAXJQPQOBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-2-3-7(9)6-10-5-4-8/h7-9H,2-6H2,1H3.
What are the key properties of 1-(2-hydroxyethoxy)pentan-2-ol?
1-(2-hydroxyethoxy)pentan-2-ol has a molecular weight of 148.20 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxy)pentan-2-ol is sourced from PubChem (CID 22352796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).