pentadecanal

C15H30O — CID 17697

IUPACpentadecanal
SMILESCCCCCCCCCCCCCCC=O
InChIInChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3
InChIKeyXGQJZNCFDLXSIJ-UHFFFAOYSA-N
MW226.40 g/mol
LogP5.28
Rot. Bonds13

About pentadecanal

pentadecanal (PubChem CID 17697) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is pentadecanal.

Molecular Properties

Compound Namepentadecanal
PubChem CID17697
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Namepentadecanal
SMILESCCCCCCCCCCCCCCC=O
InChIInChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3
InChIKeyXGQJZNCFDLXSIJ-UHFFFAOYSA-N
XLogP5.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentadecanal?
The IUPAC name of pentadecanal (CID 17697) is pentadecanal.
What is the SMILES notation for pentadecanal?
The canonical SMILES for pentadecanal is CCCCCCCCCCCCCCC=O.
What is the InChIKey of pentadecanal?
The InChIKey is XGQJZNCFDLXSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3.
What are the key properties of pentadecanal?
pentadecanal has a molecular weight of 226.40 g/mol, XLogP of 5.28, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecanal is sourced from PubChem (CID 17697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).