(6E)-3,7,11-trimethyldodeca-6,10-dienal

C15H26O — CID 6452457

IUPAC(6E)-3,7,11-trimethyldodeca-6,10-dienal
SMILESCC(C)=CCC/C(C)=C/CCC(C)CC=O
InChIInChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,12,15H,5-6,8,10-11H2,1-4H3/b14-9+
InChIKeyITBYWGRSPHMAEE-NTEUORMPSA-N
MW222.37 g/mol
LogP4.68
Rot. Bonds8

About (6E)-3,7,11-trimethyldodeca-6,10-dienal

(6E)-3,7,11-trimethyldodeca-6,10-dienal (PubChem CID 6452457) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (6E)-3,7,11-trimethyldodeca-6,10-dienal.

Molecular Properties

Compound Name(6E)-3,7,11-trimethyldodeca-6,10-dienal
PubChem CID6452457
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(6E)-3,7,11-trimethyldodeca-6,10-dienal
SMILESCC(C)=CCC/C(C)=C/CCC(C)CC=O
InChIInChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,12,15H,5-6,8,10-11H2,1-4H3/b14-9+
InChIKeyITBYWGRSPHMAEE-NTEUORMPSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-3,7,11-trimethyldodeca-6,10-dienal?
The IUPAC name of (6E)-3,7,11-trimethyldodeca-6,10-dienal (CID 6452457) is (6E)-3,7,11-trimethyldodeca-6,10-dienal.
What is the SMILES notation for (6E)-3,7,11-trimethyldodeca-6,10-dienal?
The canonical SMILES for (6E)-3,7,11-trimethyldodeca-6,10-dienal is CC(C)=CCC/C(C)=C/CCC(C)CC=O.
What is the InChIKey of (6E)-3,7,11-trimethyldodeca-6,10-dienal?
The InChIKey is ITBYWGRSPHMAEE-NTEUORMPSA-N. The full InChI is InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,12,15H,5-6,8,10-11H2,1-4H3/b14-9+.
What are the key properties of (6E)-3,7,11-trimethyldodeca-6,10-dienal?
(6E)-3,7,11-trimethyldodeca-6,10-dienal has a molecular weight of 222.37 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3,7,11-trimethyldodeca-6,10-dienal is sourced from PubChem (CID 6452457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).