(6E,8E)-7,8-dimethyldeca-6,8-dienal

C12H20O — CID 18719775

IUPAC(6E,8E)-7,8-dimethyldeca-6,8-dienal
SMILESC/C=C(C)/C(C)=C/CCCCC=O
InChIInChI=1S/C12H20O/c1-4-11(2)12(3)9-7-5-6-8-10-13/h4,9-10H,5-8H2,1-3H3/b11-4+,12-9+
InChIKeyJLJXNTPJFSIKOL-RUVIVGLCSA-N
MW180.29 g/mol
LogP3.66
Rot. Bonds6

About (6E,8E)-7,8-dimethyldeca-6,8-dienal

(6E,8E)-7,8-dimethyldeca-6,8-dienal (PubChem CID 18719775) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (6E,8E)-7,8-dimethyldeca-6,8-dienal.

Molecular Properties

Compound Name(6E,8E)-7,8-dimethyldeca-6,8-dienal
PubChem CID18719775
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(6E,8E)-7,8-dimethyldeca-6,8-dienal
SMILESC/C=C(C)/C(C)=C/CCCCC=O
InChIInChI=1S/C12H20O/c1-4-11(2)12(3)9-7-5-6-8-10-13/h4,9-10H,5-8H2,1-3H3/b11-4+,12-9+
InChIKeyJLJXNTPJFSIKOL-RUVIVGLCSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.66
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E,8E)-7,8-dimethyldeca-6,8-dienal?
The IUPAC name of (6E,8E)-7,8-dimethyldeca-6,8-dienal (CID 18719775) is (6E,8E)-7,8-dimethyldeca-6,8-dienal.
What is the SMILES notation for (6E,8E)-7,8-dimethyldeca-6,8-dienal?
The canonical SMILES for (6E,8E)-7,8-dimethyldeca-6,8-dienal is C/C=C(C)/C(C)=C/CCCCC=O.
What is the InChIKey of (6E,8E)-7,8-dimethyldeca-6,8-dienal?
The InChIKey is JLJXNTPJFSIKOL-RUVIVGLCSA-N. The full InChI is InChI=1S/C12H20O/c1-4-11(2)12(3)9-7-5-6-8-10-13/h4,9-10H,5-8H2,1-3H3/b11-4+,12-9+.
What are the key properties of (6E,8E)-7,8-dimethyldeca-6,8-dienal?
(6E,8E)-7,8-dimethyldeca-6,8-dienal has a molecular weight of 180.29 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E)-7,8-dimethyldeca-6,8-dienal is sourced from PubChem (CID 18719775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).