5-pentoxypentan-1-ol

C10H22O2 — CID 14123545

IUPAC5-pentoxypentan-1-ol
SMILESCCCCCOCCCCCO
InChIInChI=1S/C10H22O2/c1-2-3-6-9-12-10-7-4-5-8-11/h11H,2-10H2,1H3
InChIKeyXJCHBJBYLCKVBA-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.36
Rot. Bonds9

About 5-pentoxypentan-1-ol

5-pentoxypentan-1-ol (PubChem CID 14123545) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 5-pentoxypentan-1-ol.

Molecular Properties

Compound Name5-pentoxypentan-1-ol
PubChem CID14123545
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name5-pentoxypentan-1-ol
SMILESCCCCCOCCCCCO
InChIInChI=1S/C10H22O2/c1-2-3-6-9-12-10-7-4-5-8-11/h11H,2-10H2,1H3
InChIKeyXJCHBJBYLCKVBA-UHFFFAOYSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-pentoxypentan-1-ol?
The IUPAC name of 5-pentoxypentan-1-ol (CID 14123545) is 5-pentoxypentan-1-ol.
What is the SMILES notation for 5-pentoxypentan-1-ol?
The canonical SMILES for 5-pentoxypentan-1-ol is CCCCCOCCCCCO.
What is the InChIKey of 5-pentoxypentan-1-ol?
The InChIKey is XJCHBJBYLCKVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-2-3-6-9-12-10-7-4-5-8-11/h11H,2-10H2,1H3.
What are the key properties of 5-pentoxypentan-1-ol?
5-pentoxypentan-1-ol has a molecular weight of 174.28 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentoxypentan-1-ol is sourced from PubChem (CID 14123545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).