4-(oxolan-2-yloxy)butan-1-ol

C8H16O3 — CID 11744922

IUPAC4-(oxolan-2-yloxy)butan-1-ol
SMILESOCCCCOC1CCCO1
InChIInChI=1S/C8H16O3/c9-5-1-2-6-10-8-4-3-7-11-8/h8-9H,1-7H2
InChIKeyNMPJHMFXHISVBR-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.91
Rot. Bonds5

About 4-(oxolan-2-yloxy)butan-1-ol

4-(oxolan-2-yloxy)butan-1-ol (PubChem CID 11744922) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 4-(oxolan-2-yloxy)butan-1-ol.

Molecular Properties

Compound Name4-(oxolan-2-yloxy)butan-1-ol
PubChem CID11744922
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name4-(oxolan-2-yloxy)butan-1-ol
SMILESOCCCCOC1CCCO1
InChIInChI=1S/C8H16O3/c9-5-1-2-6-10-8-4-3-7-11-8/h8-9H,1-7H2
InChIKeyNMPJHMFXHISVBR-UHFFFAOYSA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 4-(oxolan-2-yloxy)butan-1-ol?
The IUPAC name of 4-(oxolan-2-yloxy)butan-1-ol (CID 11744922) is 4-(oxolan-2-yloxy)butan-1-ol.
What is the SMILES notation for 4-(oxolan-2-yloxy)butan-1-ol?
The canonical SMILES for 4-(oxolan-2-yloxy)butan-1-ol is OCCCCOC1CCCO1.
What is the InChIKey of 4-(oxolan-2-yloxy)butan-1-ol?
The InChIKey is NMPJHMFXHISVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c9-5-1-2-6-10-8-4-3-7-11-8/h8-9H,1-7H2.
What are the key properties of 4-(oxolan-2-yloxy)butan-1-ol?
4-(oxolan-2-yloxy)butan-1-ol has a molecular weight of 160.21 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yloxy)butan-1-ol is sourced from PubChem (CID 11744922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).