(2E,4E,6E,8E)-2,6-dimethyldeca-2,4,6,8-tetraenedial

C12H14O2 — CID 71306353

IUPAC(2E,4E,6E,8E)-2,6-dimethyldeca-2,4,6,8-tetraenedial
SMILESC/C(C=O)=C\C=C\C(C)=C\C=C\C=O
InChIInChI=1S/C12H14O2/c1-11(6-3-4-9-13)7-5-8-12(2)10-14/h3-10H,1-2H3/b4-3+,7-5+,11-6+,12-8+
InChIKeyNOURWHKLHSWPGX-KIUBFKPTSA-N
MW190.24 g/mol
LogP2.39
Rot. Bonds5

About (2E,4E,6E,8E)-2,6-dimethyldeca-2,4,6,8-tetraenedial

(2E,4E,6E,8E)-2,6-dimethyldeca-2,4,6,8-tetraenedial (PubChem CID 71306353) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2E,4E,6E,8E)-2,6-dimethyldeca-2,4,6,8-tetraenedial.

Molecular Properties

Compound Name(2E,4E,6E,8E)-2,6-dimethyldeca-2,4,6,8-tetraenedial
PubChem CID71306353
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(2E,4E,6E,8E)-2,6-dimethyldeca-2,4,6,8-tetraenedial
SMILESC/C(C=O)=C\C=C\C(C)=C\C=C\C=O
InChIInChI=1S/C12H14O2/c1-11(6-3-4-9-13)7-5-8-12(2)10-14/h3-10H,1-2H3/b4-3+,7-5+,11-6+,12-8+
InChIKeyNOURWHKLHSWPGX-KIUBFKPTSA-N
XLogP2.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.39
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 (2E,4E,6E,8E)-2,6-dimethyldeca-2,4,6,8-tetraenedial?
The IUPAC name of (2E,4E,6E,8E)-2,6-dimethyldeca-2,4,6,8-tetraenedial (CID 71306353) is (2E,4E,6E,8E)-2,6-dimethyldeca-2,4,6,8-tetraenedial.
What is the SMILES notation for (2E,4E,6E,8E)-2,6-dimethyldeca-2,4,6,8-tetraenedial?
The canonical SMILES for (2E,4E,6E,8E)-2,6-dimethyldeca-2,4,6,8-tetraenedial is C/C(C=O)=C\C=C\C(C)=C\C=C\C=O.
What is the InChIKey of (2E,4E,6E,8E)-2,6-dimethyldeca-2,4,6,8-tetraenedial?
The InChIKey is NOURWHKLHSWPGX-KIUBFKPTSA-N. The full InChI is InChI=1S/C12H14O2/c1-11(6-3-4-9-13)7-5-8-12(2)10-14/h3-10H,1-2H3/b4-3+,7-5+,11-6+,12-8+.
What are the key properties of (2E,4E,6E,8E)-2,6-dimethyldeca-2,4,6,8-tetraenedial?
(2E,4E,6E,8E)-2,6-dimethyldeca-2,4,6,8-tetraenedial has a molecular weight of 190.24 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-2,6-dimethyldeca-2,4,6,8-tetraenedial is sourced from PubChem (CID 71306353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).