4-methylocta-2,4,6-trienedial

C9H10O2 — CID 74956406

IUPAC4-methylocta-2,4,6-trienedial
SMILESCC(C=CC=O)=CC=CC=O
InChIInChI=1S/C9H10O2/c1-9(6-4-8-11)5-2-3-7-10/h2-8H,1H3
InChIKeyHLZZDTVXNYNFKH-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.44
Rot. Bonds4

About 4-methylocta-2,4,6-trienedial

4-methylocta-2,4,6-trienedial (PubChem CID 74956406) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 4-methylocta-2,4,6-trienedial.

Molecular Properties

Compound Name4-methylocta-2,4,6-trienedial
PubChem CID74956406
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name4-methylocta-2,4,6-trienedial
SMILESCC(C=CC=O)=CC=CC=O
InChIInChI=1S/C9H10O2/c1-9(6-4-8-11)5-2-3-7-10/h2-8H,1H3
InChIKeyHLZZDTVXNYNFKH-UHFFFAOYSA-N
XLogP1.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 4-methylocta-2,4,6-trienedial?
The IUPAC name of 4-methylocta-2,4,6-trienedial (CID 74956406) is 4-methylocta-2,4,6-trienedial.
What is the SMILES notation for 4-methylocta-2,4,6-trienedial?
The canonical SMILES for 4-methylocta-2,4,6-trienedial is CC(C=CC=O)=CC=CC=O.
What is the InChIKey of 4-methylocta-2,4,6-trienedial?
The InChIKey is HLZZDTVXNYNFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-9(6-4-8-11)5-2-3-7-10/h2-8H,1H3.
What are the key properties of 4-methylocta-2,4,6-trienedial?
4-methylocta-2,4,6-trienedial has a molecular weight of 150.18 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylocta-2,4,6-trienedial is sourced from PubChem (CID 74956406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).