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

C12H20O — CID 6437671

IUPAC(4E)-5,9-dimethyldeca-4,9-dienal
SMILESC=C(C)CCC/C(C)=C/CCC=O
InChIInChI=1S/C12H20O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h8,10H,1,4-7,9H2,2-3H3/b12-8+
InChIKeyABDPYMYJZBDRKL-XYOKQWHBSA-N
MW180.29 g/mol
LogP3.66
Rot. Bonds7

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

(4E)-5,9-dimethyldeca-4,9-dienal (PubChem CID 6437671) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (4E)-5,9-dimethyldeca-4,9-dienal.

Molecular Properties

Compound Name(4E)-5,9-dimethyldeca-4,9-dienal
PubChem CID6437671
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(4E)-5,9-dimethyldeca-4,9-dienal
SMILESC=C(C)CCC/C(C)=C/CCC=O
InChIInChI=1S/C12H20O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h8,10H,1,4-7,9H2,2-3H3/b12-8+
InChIKeyABDPYMYJZBDRKL-XYOKQWHBSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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

(E)-5-methylnon-4-enal
CID 101111838
2,8-dimethyldodeca-1,8-diene
CID 91581739
(6E)-2,7-dimethyldeca-1,6-diene
CID 173073155
(6E)-8-methoxy-2,6-dimethylocta-1,6-diene
CID 87447778
3,7,11-trimethyldodeca-1,6,11-trien-3-ol
CID 54462600
7-methyl-3-methylideneoct-7-enal
CID 21130789
2,7-dimethylocta-2,7-dien-1-amine
CID 550648
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
5-methyl-7-propan-2-yloxyhept-4-enal
CID 54043294
(6E)-2,6-dimethyldeca-2,6-diene;2-methylhex-1-ene;2-methylhex-2-ene
CID 162079708
2,6-dimethyl-8-propoxyocta-1,6-diene
CID 91499323
2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol
CID 54543374

Frequently Asked Questions

What is the IUPAC name of (4E)-5,9-dimethyldeca-4,9-dienal?
The IUPAC name of (4E)-5,9-dimethyldeca-4,9-dienal (CID 6437671) is (4E)-5,9-dimethyldeca-4,9-dienal.
What is the SMILES notation for (4E)-5,9-dimethyldeca-4,9-dienal?
The canonical SMILES for (4E)-5,9-dimethyldeca-4,9-dienal is C=C(C)CCC/C(C)=C/CCC=O.
What is the InChIKey of (4E)-5,9-dimethyldeca-4,9-dienal?
The InChIKey is ABDPYMYJZBDRKL-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H20O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h8,10H,1,4-7,9H2,2-3H3/b12-8+.
What are the key properties of (4E)-5,9-dimethyldeca-4,9-dienal?
(4E)-5,9-dimethyldeca-4,9-dienal has a molecular weight of 180.29 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5,9-dimethyldeca-4,9-dienal is sourced from PubChem (CID 6437671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).