5-(oxan-2-yloxy)pentan-1-ol

C10H20O3 — CID 559098

IUPAC5-(oxan-2-yloxy)pentan-1-ol
SMILESOCCCCCOC1CCCCO1
InChIInChI=1S/C10H20O3/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h10-11H,1-9H2
InChIKeyWZJNQWCLHXVUPJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.69
Rot. Bonds6

About 5-(oxan-2-yloxy)pentan-1-ol

5-(oxan-2-yloxy)pentan-1-ol (PubChem CID 559098) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-(oxan-2-yloxy)pentan-1-ol.

Molecular Properties

Compound Name5-(oxan-2-yloxy)pentan-1-ol
PubChem CID559098
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name5-(oxan-2-yloxy)pentan-1-ol
SMILESOCCCCCOC1CCCCO1
InChIInChI=1S/C10H20O3/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h10-11H,1-9H2
InChIKeyWZJNQWCLHXVUPJ-UHFFFAOYSA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.69
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 5-(oxan-2-yloxy)pentan-1-ol?
The IUPAC name of 5-(oxan-2-yloxy)pentan-1-ol (CID 559098) is 5-(oxan-2-yloxy)pentan-1-ol.
What is the SMILES notation for 5-(oxan-2-yloxy)pentan-1-ol?
The canonical SMILES for 5-(oxan-2-yloxy)pentan-1-ol is OCCCCCOC1CCCCO1.
What is the InChIKey of 5-(oxan-2-yloxy)pentan-1-ol?
The InChIKey is WZJNQWCLHXVUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h10-11H,1-9H2.
What are the key properties of 5-(oxan-2-yloxy)pentan-1-ol?
5-(oxan-2-yloxy)pentan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-yloxy)pentan-1-ol is sourced from PubChem (CID 559098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).