(2E,6E)-2,3,6,7-tetramethylocta-2,4,6-trienedial

C12H16O2 — CID 91266137

IUPAC(2E,6E)-2,3,6,7-tetramethylocta-2,4,6-trienedial
SMILESC/C(C=O)=C(/C)C=C/C(C)=C(\C)C=O
InChIInChI=1S/C12H16O2/c1-9(11(3)7-13)5-6-10(2)12(4)8-14/h5-8H,1-4H3/b6-5?,11-9+,12-10+
InChIKeyXXZWEZRBVMMFPK-SRUMMZRISA-N
MW192.26 g/mol
LogP2.61
Rot. Bonds4

About (2E,6E)-2,3,6,7-tetramethylocta-2,4,6-trienedial

(2E,6E)-2,3,6,7-tetramethylocta-2,4,6-trienedial (PubChem CID 91266137) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2E,6E)-2,3,6,7-tetramethylocta-2,4,6-trienedial.

Molecular Properties

Compound Name(2E,6E)-2,3,6,7-tetramethylocta-2,4,6-trienedial
PubChem CID91266137
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2E,6E)-2,3,6,7-tetramethylocta-2,4,6-trienedial
SMILESC/C(C=O)=C(/C)C=C/C(C)=C(\C)C=O
InChIInChI=1S/C12H16O2/c1-9(11(3)7-13)5-6-10(2)12(4)8-14/h5-8H,1-4H3/b6-5?,11-9+,12-10+
InChIKeyXXZWEZRBVMMFPK-SRUMMZRISA-N
XLogP2.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.61
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'}

Analyze (2E,6E)-2,3,6,7-tetramethylocta-2,4,6-trienedial with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-2,3,6,7-tetramethylocta-2,4,6-trienedial?
The IUPAC name of (2E,6E)-2,3,6,7-tetramethylocta-2,4,6-trienedial (CID 91266137) is (2E,6E)-2,3,6,7-tetramethylocta-2,4,6-trienedial.
What is the SMILES notation for (2E,6E)-2,3,6,7-tetramethylocta-2,4,6-trienedial?
The canonical SMILES for (2E,6E)-2,3,6,7-tetramethylocta-2,4,6-trienedial is C/C(C=O)=C(/C)C=C/C(C)=C(\C)C=O.
What is the InChIKey of (2E,6E)-2,3,6,7-tetramethylocta-2,4,6-trienedial?
The InChIKey is XXZWEZRBVMMFPK-SRUMMZRISA-N. The full InChI is InChI=1S/C12H16O2/c1-9(11(3)7-13)5-6-10(2)12(4)8-14/h5-8H,1-4H3/b6-5?,11-9+,12-10+.
What are the key properties of (2E,6E)-2,3,6,7-tetramethylocta-2,4,6-trienedial?
(2E,6E)-2,3,6,7-tetramethylocta-2,4,6-trienedial has a molecular weight of 192.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-2,3,6,7-tetramethylocta-2,4,6-trienedial is sourced from PubChem (CID 91266137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).