3,7,11-trimethyldodecanal

C15H30O — CID 14420009

IUPAC3,7,11-trimethyldodecanal
SMILESCC(C)CCCC(C)CCCC(C)CC=O
InChIInChI=1S/C15H30O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h12-15H,5-11H2,1-4H3
InChIKeyBTCKFZHMWUFBQY-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.84
Rot. Bonds10

About 3,7,11-trimethyldodecanal

3,7,11-trimethyldodecanal (PubChem CID 14420009) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 3,7,11-trimethyldodecanal.

Molecular Properties

Compound Name3,7,11-trimethyldodecanal
PubChem CID14420009
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name3,7,11-trimethyldodecanal
SMILESCC(C)CCCC(C)CCCC(C)CC=O
InChIInChI=1S/C15H30O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h12-15H,5-11H2,1-4H3
InChIKeyBTCKFZHMWUFBQY-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2,5,9,13-tetramethyltetradecane
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3-hydroxy-4,8-dimethylnonanal
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2-hydroxy-3,7,11,15-tetramethylhexadecanal
CID 91588930
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CID 174999973
22-methyltricosanal
CID 86049143
12-methyltridecanal
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18-methylnonadecanal
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Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyldodecanal?
The IUPAC name of 3,7,11-trimethyldodecanal (CID 14420009) is 3,7,11-trimethyldodecanal.
What is the SMILES notation for 3,7,11-trimethyldodecanal?
The canonical SMILES for 3,7,11-trimethyldodecanal is CC(C)CCCC(C)CCCC(C)CC=O.
What is the InChIKey of 3,7,11-trimethyldodecanal?
The InChIKey is BTCKFZHMWUFBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h12-15H,5-11H2,1-4H3.
What are the key properties of 3,7,11-trimethyldodecanal?
3,7,11-trimethyldodecanal has a molecular weight of 226.40 g/mol, XLogP of 4.84, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyldodecanal is sourced from PubChem (CID 14420009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).