2-methyl-1-(oxolan-3-yl)pentan-1-ol

C10H20O2 — CID 63899979

IUPAC2-methyl-1-(oxolan-3-yl)pentan-1-ol
SMILESCCCC(C)C(O)C1CCOC1
InChIInChI=1S/C10H20O2/c1-3-4-8(2)10(11)9-5-6-12-7-9/h8-11H,3-7H2,1-2H3
InChIKeyHDBQDNSAHLOAAL-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.82
Rot. Bonds4

About 2-methyl-1-(oxolan-3-yl)pentan-1-ol

2-methyl-1-(oxolan-3-yl)pentan-1-ol (PubChem CID 63899979) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methyl-1-(oxolan-3-yl)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(oxolan-3-yl)pentan-1-ol
PubChem CID63899979
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-methyl-1-(oxolan-3-yl)pentan-1-ol
SMILESCCCC(C)C(O)C1CCOC1
InChIInChI=1S/C10H20O2/c1-3-4-8(2)10(11)9-5-6-12-7-9/h8-11H,3-7H2,1-2H3
InChIKeyHDBQDNSAHLOAAL-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(oxolan-3-yl)pentan-1-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 2-methyl-1-(oxolan-3-yl)pentan-1-ol?
The IUPAC name of 2-methyl-1-(oxolan-3-yl)pentan-1-ol (CID 63899979) is 2-methyl-1-(oxolan-3-yl)pentan-1-ol.
What is the SMILES notation for 2-methyl-1-(oxolan-3-yl)pentan-1-ol?
The canonical SMILES for 2-methyl-1-(oxolan-3-yl)pentan-1-ol is CCCC(C)C(O)C1CCOC1.
What is the InChIKey of 2-methyl-1-(oxolan-3-yl)pentan-1-ol?
The InChIKey is HDBQDNSAHLOAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-4-8(2)10(11)9-5-6-12-7-9/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-methyl-1-(oxolan-3-yl)pentan-1-ol?
2-methyl-1-(oxolan-3-yl)pentan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxolan-3-yl)pentan-1-ol is sourced from PubChem (CID 63899979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).