(2-propyloxetan-2-yl)methanol

C7H14O2 — CID 21125482

IUPAC(2-propyloxetan-2-yl)methanol
SMILESCCCC1(CO)CCO1
InChIInChI=1S/C7H14O2/c1-2-3-7(6-8)4-5-9-7/h8H,2-6H2,1H3
InChIKeyBAFQSILQWMCNGC-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.94
Rot. Bonds3

About (2-propyloxetan-2-yl)methanol

(2-propyloxetan-2-yl)methanol (PubChem CID 21125482) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (2-propyloxetan-2-yl)methanol.

Molecular Properties

Compound Name(2-propyloxetan-2-yl)methanol
PubChem CID21125482
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(2-propyloxetan-2-yl)methanol
SMILESCCCC1(CO)CCO1
InChIInChI=1S/C7H14O2/c1-2-3-7(6-8)4-5-9-7/h8H,2-6H2,1H3
InChIKeyBAFQSILQWMCNGC-UHFFFAOYSA-N
XLogP0.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-propyloxetan-2-yl)methanol 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-propyloxetan-2-yl)methanol?
The IUPAC name of (2-propyloxetan-2-yl)methanol (CID 21125482) is (2-propyloxetan-2-yl)methanol.
What is the SMILES notation for (2-propyloxetan-2-yl)methanol?
The canonical SMILES for (2-propyloxetan-2-yl)methanol is CCCC1(CO)CCO1.
What is the InChIKey of (2-propyloxetan-2-yl)methanol?
The InChIKey is BAFQSILQWMCNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-2-3-7(6-8)4-5-9-7/h8H,2-6H2,1H3.
What are the key properties of (2-propyloxetan-2-yl)methanol?
(2-propyloxetan-2-yl)methanol has a molecular weight of 130.19 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propyloxetan-2-yl)methanol is sourced from PubChem (CID 21125482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).