5,7,9-trimethyldecanal

C13H26O — CID 135207816

IUPAC5,7,9-trimethyldecanal
SMILESCC(C)CC(C)CC(C)CCCC=O
InChIInChI=1S/C13H26O/c1-11(2)9-13(4)10-12(3)7-5-6-8-14/h8,11-13H,5-7,9-10H2,1-4H3
InChIKeyUIXNYKYPYXZHFB-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.06
Rot. Bonds8

About 5,7,9-trimethyldecanal

5,7,9-trimethyldecanal (PubChem CID 135207816) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 5,7,9-trimethyldecanal.

Molecular Properties

Compound Name5,7,9-trimethyldecanal
PubChem CID135207816
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name5,7,9-trimethyldecanal
SMILESCC(C)CC(C)CC(C)CCCC=O
InChIInChI=1S/C13H26O/c1-11(2)9-13(4)10-12(3)7-5-6-8-14/h8,11-13H,5-7,9-10H2,1-4H3
InChIKeyUIXNYKYPYXZHFB-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.06
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

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22-methyltricosanal
CID 86049143
18-methylnonadecanal
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12-methyltridecanal
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Frequently Asked Questions

What is the IUPAC name of 5,7,9-trimethyldecanal?
The IUPAC name of 5,7,9-trimethyldecanal (CID 135207816) is 5,7,9-trimethyldecanal.
What is the SMILES notation for 5,7,9-trimethyldecanal?
The canonical SMILES for 5,7,9-trimethyldecanal is CC(C)CC(C)CC(C)CCCC=O.
What is the InChIKey of 5,7,9-trimethyldecanal?
The InChIKey is UIXNYKYPYXZHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-11(2)9-13(4)10-12(3)7-5-6-8-14/h8,11-13H,5-7,9-10H2,1-4H3.
What are the key properties of 5,7,9-trimethyldecanal?
5,7,9-trimethyldecanal has a molecular weight of 198.35 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,9-trimethyldecanal is sourced from PubChem (CID 135207816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).