(3E,5Z,7E)-deca-3,5,7-triene-2,9-dione

C10H12O2 — CID 10749538

IUPAC(3E,5Z,7E)-deca-3,5,7-triene-2,9-dione
SMILESCC(=O)/C=C/C=C\C=C\C(C)=O
InChIInChI=1S/C10H12O2/c1-9(11)7-5-3-4-6-8-10(2)12/h3-8H,1-2H3/b4-3-,7-5+,8-6+
InChIKeyZGJASKJUYHCJIX-MBAZBMQQSA-N
MW164.20 g/mol
LogP1.83
Rot. Bonds4

About (3E,5Z,7E)-deca-3,5,7-triene-2,9-dione

(3E,5Z,7E)-deca-3,5,7-triene-2,9-dione (PubChem CID 10749538) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (3E,5Z,7E)-deca-3,5,7-triene-2,9-dione.

Molecular Properties

Compound Name(3E,5Z,7E)-deca-3,5,7-triene-2,9-dione
PubChem CID10749538
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(3E,5Z,7E)-deca-3,5,7-triene-2,9-dione
SMILESCC(=O)/C=C/C=C\C=C\C(C)=O
InChIInChI=1S/C10H12O2/c1-9(11)7-5-3-4-6-8-10(2)12/h3-8H,1-2H3/b4-3-,7-5+,8-6+
InChIKeyZGJASKJUYHCJIX-MBAZBMQQSA-N
XLogP1.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-oxohepta-2,4-dienal
CID 54295604
(3Z)-hepta-3,5-dien-2-one
CID 123850748
(3Z,5E)-hepta-3,5-dien-2-one
CID 12524557
(E)-hex-3-ene-2,5-dione
CID 5363639
(3Z,5E)-octa-3,5-dien-2-one
CID 6428552
methyl (2E,4E)-6-oxohepta-2,4-dienoate
CID 13383933
nona-3,5-diene-2,7-dione
CID 74986099
(3E,5E,7Z)-8-methyldeca-3,5,7-trien-9-yn-2-one
CID 12588446
(3E,5E,7E)-8-methyldeca-3,5,7-trien-9-yn-2-one
CID 121217803
(3E)-nona-3,5-dien-2-one
CID 131243861
(3E,5E,7E)-trideca-3,5,7-trien-2-one
CID 118922947
pentadeca-3,5,7-trien-2-one
CID 91106763

Frequently Asked Questions

What is the IUPAC name of (3E,5Z,7E)-deca-3,5,7-triene-2,9-dione?
The IUPAC name of (3E,5Z,7E)-deca-3,5,7-triene-2,9-dione (CID 10749538) is (3E,5Z,7E)-deca-3,5,7-triene-2,9-dione.
What is the SMILES notation for (3E,5Z,7E)-deca-3,5,7-triene-2,9-dione?
The canonical SMILES for (3E,5Z,7E)-deca-3,5,7-triene-2,9-dione is CC(=O)/C=C/C=C\C=C\C(C)=O.
What is the InChIKey of (3E,5Z,7E)-deca-3,5,7-triene-2,9-dione?
The InChIKey is ZGJASKJUYHCJIX-MBAZBMQQSA-N. The full InChI is InChI=1S/C10H12O2/c1-9(11)7-5-3-4-6-8-10(2)12/h3-8H,1-2H3/b4-3-,7-5+,8-6+.
What are the key properties of (3E,5Z,7E)-deca-3,5,7-triene-2,9-dione?
(3E,5Z,7E)-deca-3,5,7-triene-2,9-dione has a molecular weight of 164.20 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,7E)-deca-3,5,7-triene-2,9-dione is sourced from PubChem (CID 10749538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).