3-(oxetan-2-yl)pentan-1-ol

C8H16O2 — CID 66876045

IUPAC3-(oxetan-2-yl)pentan-1-ol
SMILESCCC(CCO)C1CCO1
InChIInChI=1S/C8H16O2/c1-2-7(3-5-9)8-4-6-10-8/h7-9H,2-6H2,1H3
InChIKeyJDUSXUQLRZWLRR-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds4

About 3-(oxetan-2-yl)pentan-1-ol

3-(oxetan-2-yl)pentan-1-ol (PubChem CID 66876045) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-(oxetan-2-yl)pentan-1-ol.

Molecular Properties

Compound Name3-(oxetan-2-yl)pentan-1-ol
PubChem CID66876045
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-(oxetan-2-yl)pentan-1-ol
SMILESCCC(CCO)C1CCO1
InChIInChI=1S/C8H16O2/c1-2-7(3-5-9)8-4-6-10-8/h7-9H,2-6H2,1H3
InChIKeyJDUSXUQLRZWLRR-UHFFFAOYSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxetan-2-yl)pentan-1-ol?
The IUPAC name of 3-(oxetan-2-yl)pentan-1-ol (CID 66876045) is 3-(oxetan-2-yl)pentan-1-ol.
What is the SMILES notation for 3-(oxetan-2-yl)pentan-1-ol?
The canonical SMILES for 3-(oxetan-2-yl)pentan-1-ol is CCC(CCO)C1CCO1.
What is the InChIKey of 3-(oxetan-2-yl)pentan-1-ol?
The InChIKey is JDUSXUQLRZWLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-7(3-5-9)8-4-6-10-8/h7-9H,2-6H2,1H3.
What are the key properties of 3-(oxetan-2-yl)pentan-1-ol?
3-(oxetan-2-yl)pentan-1-ol has a molecular weight of 144.21 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxetan-2-yl)pentan-1-ol is sourced from PubChem (CID 66876045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).