3-(oxan-4-yl)propan-1-ol

C8H16O2 — CID 22272891

IUPAC3-(oxan-4-yl)propan-1-ol
SMILESOCCCC1CCOCC1
InChIInChI=1S/C8H16O2/c9-5-1-2-8-3-6-10-7-4-8/h8-9H,1-7H2
InChIKeyFGWQPRUQOJWITB-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.19
Rot. Bonds3

About 3-(oxan-4-yl)propan-1-ol

3-(oxan-4-yl)propan-1-ol (PubChem CID 22272891) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-(oxan-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(oxan-4-yl)propan-1-ol
PubChem CID22272891
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-(oxan-4-yl)propan-1-ol
SMILESOCCCC1CCOCC1
InChIInChI=1S/C8H16O2/c9-5-1-2-8-3-6-10-7-4-8/h8-9H,1-7H2
InChIKeyFGWQPRUQOJWITB-UHFFFAOYSA-N
XLogP1.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)propan-1-ol?
The IUPAC name of 3-(oxan-4-yl)propan-1-ol (CID 22272891) is 3-(oxan-4-yl)propan-1-ol.
What is the SMILES notation for 3-(oxan-4-yl)propan-1-ol?
The canonical SMILES for 3-(oxan-4-yl)propan-1-ol is OCCCC1CCOCC1.
What is the InChIKey of 3-(oxan-4-yl)propan-1-ol?
The InChIKey is FGWQPRUQOJWITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c9-5-1-2-8-3-6-10-7-4-8/h8-9H,1-7H2.
What are the key properties of 3-(oxan-4-yl)propan-1-ol?
3-(oxan-4-yl)propan-1-ol has a molecular weight of 144.21 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)propan-1-ol is sourced from PubChem (CID 22272891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).