pentan-1-ol

C5H12O — CID 6276

IUPACpentan-1-ol
SMILESCCCCCO
InChIInChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChIKeyAMQJEAYHLZJPGS-UHFFFAOYSA-N
MW88.15 g/mol
LogP1.17
Rot. Bonds3

About pentan-1-ol

pentan-1-ol (PubChem CID 6276) has the molecular formula C5H12O and a molecular weight of 88.15 g/mol. Its IUPAC name is pentan-1-ol.

Molecular Properties

Compound Namepentan-1-ol
PubChem CID6276
Molecular FormulaC5H12O
Molecular Weight88.15 g/mol
Exact Mass88.09
IUPAC Namepentan-1-ol
SMILESCCCCCO
InChIInChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChIKeyAMQJEAYHLZJPGS-UHFFFAOYSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.15
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 pentan-1-ol?
The IUPAC name of pentan-1-ol (CID 6276) is pentan-1-ol.
What is the SMILES notation for pentan-1-ol?
The canonical SMILES for pentan-1-ol is CCCCCO.
What is the InChIKey of pentan-1-ol?
The InChIKey is AMQJEAYHLZJPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3.
What are the key properties of pentan-1-ol?
pentan-1-ol has a molecular weight of 88.15 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-1-ol is sourced from PubChem (CID 6276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).