12-methyltridecanal

C14H28O — CID 3018619

IUPAC12-methyltridecanal
SMILESCC(C)CCCCCCCCCCC=O
InChIInChI=1S/C14H28O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3
InChIKeyOQWNKUAZQSLNSR-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.74
Rot. Bonds11

About 12-methyltridecanal

12-methyltridecanal (PubChem CID 3018619) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 12-methyltridecanal.

Molecular Properties

Compound Name12-methyltridecanal
PubChem CID3018619
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name12-methyltridecanal
SMILESCC(C)CCCCCCCCCCC=O
InChIInChI=1S/C14H28O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3
InChIKeyOQWNKUAZQSLNSR-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.74
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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Related Compounds

Nonanal
CID 31289
Decanal
CID 8175
Tetradecanal
CID 31291
Octanal
CID 454
Dodecanal
CID 8194
2-Ethylhexanal
CID 31241
Undecanal
CID 8186
2-Methylundecanal
CID 61031
Pentadecanal
CID 17697
3,7-Dimethyloctanal
CID 110747
Tridecanal
CID 25311
2-Methyloctanal
CID 24583

Frequently Asked Questions

What is the IUPAC name of 12-methyltridecanal?
The IUPAC name of 12-methyltridecanal (CID 3018619) is 12-methyltridecanal.
What is the SMILES notation for 12-methyltridecanal?
The canonical SMILES for 12-methyltridecanal is CC(C)CCCCCCCCCCC=O.
What is the InChIKey of 12-methyltridecanal?
The InChIKey is OQWNKUAZQSLNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3.
What are the key properties of 12-methyltridecanal?
12-methyltridecanal has a molecular weight of 212.38 g/mol, XLogP of 4.74, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyltridecanal is sourced from PubChem (CID 3018619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).