pentadecan-1-ol

C15H32O — CID 12397

IUPACpentadecan-1-ol
SMILESCCCCCCCCCCCCCCCO
InChIInChI=1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
InChIKeyREIUXOLGHVXAEO-UHFFFAOYSA-N
MW228.42 g/mol
LogP5.07
Rot. Bonds13

About pentadecan-1-ol

pentadecan-1-ol (PubChem CID 12397) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is pentadecan-1-ol.

Molecular Properties

Compound Namepentadecan-1-ol
PubChem CID12397
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Namepentadecan-1-ol
SMILESCCCCCCCCCCCCCCCO
InChIInChI=1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
InChIKeyREIUXOLGHVXAEO-UHFFFAOYSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.42
LogP ≤ 55.07
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 pentadecan-1-ol?
The IUPAC name of pentadecan-1-ol (CID 12397) is pentadecan-1-ol.
What is the SMILES notation for pentadecan-1-ol?
The canonical SMILES for pentadecan-1-ol is CCCCCCCCCCCCCCCO.
What is the InChIKey of pentadecan-1-ol?
The InChIKey is REIUXOLGHVXAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3.
What are the key properties of pentadecan-1-ol?
pentadecan-1-ol has a molecular weight of 228.42 g/mol, XLogP of 5.07, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecan-1-ol is sourced from PubChem (CID 12397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).