(5E,7E)-deca-5,7,9-trien-2-one

C10H14O — CID 24936995

IUPAC(5E,7E)-deca-5,7,9-trien-2-one
SMILESC=C/C=C/C=C/CCC(C)=O
InChIInChI=1S/C10H14O/c1-3-4-5-6-7-8-9-10(2)11/h3-7H,1,8-9H2,2H3/b5-4+,7-6+
InChIKeyYYXSUQQUWMLOOB-YTXTXJHMSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds5

About (5E,7E)-deca-5,7,9-trien-2-one

(5E,7E)-deca-5,7,9-trien-2-one (PubChem CID 24936995) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (5E,7E)-deca-5,7,9-trien-2-one.

Molecular Properties

Compound Name(5E,7E)-deca-5,7,9-trien-2-one
PubChem CID24936995
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(5E,7E)-deca-5,7,9-trien-2-one
SMILESC=C/C=C/C=C/CCC(C)=O
InChIInChI=1S/C10H14O/c1-3-4-5-6-7-8-9-10(2)11/h3-7H,1,8-9H2,2H3/b5-4+,7-6+
InChIKeyYYXSUQQUWMLOOB-YTXTXJHMSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E,7E)-deca-5,7,9-trien-2-one?
The IUPAC name of (5E,7E)-deca-5,7,9-trien-2-one (CID 24936995) is (5E,7E)-deca-5,7,9-trien-2-one.
What is the SMILES notation for (5E,7E)-deca-5,7,9-trien-2-one?
The canonical SMILES for (5E,7E)-deca-5,7,9-trien-2-one is C=C/C=C/C=C/CCC(C)=O.
What is the InChIKey of (5E,7E)-deca-5,7,9-trien-2-one?
The InChIKey is YYXSUQQUWMLOOB-YTXTXJHMSA-N. The full InChI is InChI=1S/C10H14O/c1-3-4-5-6-7-8-9-10(2)11/h3-7H,1,8-9H2,2H3/b5-4+,7-6+.
What are the key properties of (5E,7E)-deca-5,7,9-trien-2-one?
(5E,7E)-deca-5,7,9-trien-2-one has a molecular weight of 150.22 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-deca-5,7,9-trien-2-one is sourced from PubChem (CID 24936995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).