(4E)-5,9-dimethyldeca-4,8-dienal

C12H20O — CID 5365877

IUPAC(4E)-5,9-dimethyldeca-4,8-dienal
SMILESCC(C)=CCC/C(C)=C/CCC=O
InChIInChI=1S/C12H20O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h7-8,10H,4-6,9H2,1-3H3/b12-8+
InChIKeyMMLYERLRGHVBEK-XYOKQWHBSA-N
MW180.29 g/mol
LogP3.66
Rot. Bonds6

About (4E)-5,9-dimethyldeca-4,8-dienal

(4E)-5,9-dimethyldeca-4,8-dienal (PubChem CID 5365877) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (4E)-5,9-dimethyldeca-4,8-dienal.

Molecular Properties

Compound Name(4E)-5,9-dimethyldeca-4,8-dienal
PubChem CID5365877
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(4E)-5,9-dimethyldeca-4,8-dienal
SMILESCC(C)=CCC/C(C)=C/CCC=O
InChIInChI=1S/C12H20O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h7-8,10H,4-6,9H2,1-3H3/b12-8+
InChIKeyMMLYERLRGHVBEK-XYOKQWHBSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Citral
CID 638011
4-Decenal, (4Z)-
CID 5362620
(+-)-2,6-Dimethyl-5-heptenal
CID 61016
Orange Oil
CID 62161
Farnesal
CID 68150
Neral
CID 643779
4-Decenal
CID 61875
beta-SINENSAL
CID 5281535
cis-6-Nonenal
CID 5362720
2-Ethyl-3-propylacrolein
CID 5354264
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal
CID 5280598
2-Isopropyl-5-methyl-2-hexenal
CID 37066

Frequently Asked Questions

What is the IUPAC name of (4E)-5,9-dimethyldeca-4,8-dienal?
The IUPAC name of (4E)-5,9-dimethyldeca-4,8-dienal (CID 5365877) is (4E)-5,9-dimethyldeca-4,8-dienal.
What is the SMILES notation for (4E)-5,9-dimethyldeca-4,8-dienal?
The canonical SMILES for (4E)-5,9-dimethyldeca-4,8-dienal is CC(C)=CCC/C(C)=C/CCC=O.
What is the InChIKey of (4E)-5,9-dimethyldeca-4,8-dienal?
The InChIKey is MMLYERLRGHVBEK-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H20O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h7-8,10H,4-6,9H2,1-3H3/b12-8+.
What are the key properties of (4E)-5,9-dimethyldeca-4,8-dienal?
(4E)-5,9-dimethyldeca-4,8-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 (4E)-5,9-dimethyldeca-4,8-dienal is sourced from PubChem (CID 5365877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).