3-(oxan-2-yloxy)propan-1-ol

C8H16O3 — CID 10855766

IUPAC3-(oxan-2-yloxy)propan-1-ol
SMILESOCCCOC1CCCCO1
InChIInChI=1S/C8H16O3/c9-5-3-7-11-8-4-1-2-6-10-8/h8-9H,1-7H2
InChIKeyJZQJFSZRLAICJP-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.91
Rot. Bonds4

About 3-(oxan-2-yloxy)propan-1-ol

3-(oxan-2-yloxy)propan-1-ol (PubChem CID 10855766) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3-(oxan-2-yloxy)propan-1-ol.

Molecular Properties

Compound Name3-(oxan-2-yloxy)propan-1-ol
PubChem CID10855766
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3-(oxan-2-yloxy)propan-1-ol
SMILESOCCCOC1CCCCO1
InChIInChI=1S/C8H16O3/c9-5-3-7-11-8-4-1-2-6-10-8/h8-9H,1-7H2
InChIKeyJZQJFSZRLAICJP-UHFFFAOYSA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yloxy)propan-1-ol?
The IUPAC name of 3-(oxan-2-yloxy)propan-1-ol (CID 10855766) is 3-(oxan-2-yloxy)propan-1-ol.
What is the SMILES notation for 3-(oxan-2-yloxy)propan-1-ol?
The canonical SMILES for 3-(oxan-2-yloxy)propan-1-ol is OCCCOC1CCCCO1.
What is the InChIKey of 3-(oxan-2-yloxy)propan-1-ol?
The InChIKey is JZQJFSZRLAICJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c9-5-3-7-11-8-4-1-2-6-10-8/h8-9H,1-7H2.
What are the key properties of 3-(oxan-2-yloxy)propan-1-ol?
3-(oxan-2-yloxy)propan-1-ol has a molecular weight of 160.21 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yloxy)propan-1-ol is sourced from PubChem (CID 10855766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).