tridecanal

C13H26O — CID 25311

IUPACtridecanal
SMILESCCCCCCCCCCCCC=O
InChIInChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
InChIKeyBGEHHAVMRVXCGR-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.50
Rot. Bonds11

About tridecanal

tridecanal (PubChem CID 25311) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is tridecanal.

Molecular Properties

Compound Nametridecanal
PubChem CID25311
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Nametridecanal
SMILESCCCCCCCCCCCCC=O
InChIInChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
InChIKeyBGEHHAVMRVXCGR-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.50
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 tridecanal?
The IUPAC name of tridecanal (CID 25311) is tridecanal.
What is the SMILES notation for tridecanal?
The canonical SMILES for tridecanal is CCCCCCCCCCCCC=O.
What is the InChIKey of tridecanal?
The InChIKey is BGEHHAVMRVXCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3.
What are the key properties of tridecanal?
tridecanal has a molecular weight of 198.35 g/mol, XLogP of 4.50, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tridecanal is sourced from PubChem (CID 25311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).