2-ethenyltridecanal

C15H28O — CID 88845496

IUPAC2-ethenyltridecanal
SMILESC=CC(C=O)CCCCCCCCCCC
InChIInChI=1S/C15H28O/c1-3-5-6-7-8-9-10-11-12-13-15(4-2)14-16/h4,14-15H,2-3,5-13H2,1H3
InChIKeySKGBUWJMZWACDS-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.91
Rot. Bonds12

About 2-ethenyltridecanal

2-ethenyltridecanal (PubChem CID 88845496) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-ethenyltridecanal.

Molecular Properties

Compound Name2-ethenyltridecanal
PubChem CID88845496
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-ethenyltridecanal
SMILESC=CC(C=O)CCCCCCCCCCC
InChIInChI=1S/C15H28O/c1-3-5-6-7-8-9-10-11-12-13-15(4-2)14-16/h4,14-15H,2-3,5-13H2,1H3
InChIKeySKGBUWJMZWACDS-UHFFFAOYSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.91
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-undecylpropanedial
CID 20505732
3-ethenylnon-1-ene
CID 123641938
2-ethenylpentanal
CID 12590028
2-aminooctanal
CID 54076326
2-prop-2-enyloctadecanal
CID 173235739
10-ethenylnonadecane
CID 57244946
2-methyldodecanal
CID 87784106
(2S)-2-fluorohexadecanal
CID 134857256
ethane;9-ethenylheptadecane;octane
CID 168985515
heptadec-1-en-3-ol
CID 11858939
undec-1-en-3-ol
CID 3015762
3-bromoundec-1-ene
CID 15852002

Frequently Asked Questions

What is the IUPAC name of 2-ethenyltridecanal?
The IUPAC name of 2-ethenyltridecanal (CID 88845496) is 2-ethenyltridecanal.
What is the SMILES notation for 2-ethenyltridecanal?
The canonical SMILES for 2-ethenyltridecanal is C=CC(C=O)CCCCCCCCCCC.
What is the InChIKey of 2-ethenyltridecanal?
The InChIKey is SKGBUWJMZWACDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-3-5-6-7-8-9-10-11-12-13-15(4-2)14-16/h4,14-15H,2-3,5-13H2,1H3.
What are the key properties of 2-ethenyltridecanal?
2-ethenyltridecanal has a molecular weight of 224.39 g/mol, XLogP of 4.91, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyltridecanal is sourced from PubChem (CID 88845496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).