2,3-dimethylocta-2,4,6-trienal

C10H14O — CID 54104985

IUPAC2,3-dimethylocta-2,4,6-trienal
SMILESCC=CC=CC(C)=C(C)C=O
InChIInChI=1S/C10H14O/c1-4-5-6-7-9(2)10(3)8-11/h4-8H,1-3H3
InChIKeyNDCQMXIXAIPTCF-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds3

About 2,3-dimethylocta-2,4,6-trienal

2,3-dimethylocta-2,4,6-trienal (PubChem CID 54104985) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2,3-dimethylocta-2,4,6-trienal.

Molecular Properties

Compound Name2,3-dimethylocta-2,4,6-trienal
PubChem CID54104985
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2,3-dimethylocta-2,4,6-trienal
SMILESCC=CC=CC(C)=C(C)C=O
InChIInChI=1S/C10H14O/c1-4-5-6-7-9(2)10(3)8-11/h4-8H,1-3H3
InChIKeyNDCQMXIXAIPTCF-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Orange Oil
CID 62161
(2Z,4E)-Nona-2,4-Dienal
CID 6428555
2,4-Heptadienal
CID 5283321
alpha-Sinensal
CID 5281534
beta-SINENSAL
CID 5281535
2,4-Octadienal, (2E,4E)-
CID 5283329
Nona-2,4-dienal
CID 23203
2-Ethyl-3-propylacrolein
CID 5354264
(E)-2-Methyl-2-pentenal
CID 5319754
2,4-Nonadienal
CID 5283339
2-Methyl-2-pentenal
CID 12177
2,4,6-Nonatrienal, (2E,4E,6E)-
CID 15755823

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylocta-2,4,6-trienal?
The IUPAC name of 2,3-dimethylocta-2,4,6-trienal (CID 54104985) is 2,3-dimethylocta-2,4,6-trienal.
What is the SMILES notation for 2,3-dimethylocta-2,4,6-trienal?
The canonical SMILES for 2,3-dimethylocta-2,4,6-trienal is CC=CC=CC(C)=C(C)C=O.
What is the InChIKey of 2,3-dimethylocta-2,4,6-trienal?
The InChIKey is NDCQMXIXAIPTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-4-5-6-7-9(2)10(3)8-11/h4-8H,1-3H3.
What are the key properties of 2,3-dimethylocta-2,4,6-trienal?
2,3-dimethylocta-2,4,6-trienal has a molecular weight of 150.22 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylocta-2,4,6-trienal is sourced from PubChem (CID 54104985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).