(8E,10E)-dodeca-1,8,10-trien-3-one

C12H18O — CID 11769109

IUPAC(8E,10E)-dodeca-1,8,10-trien-3-one
SMILESC=CC(=O)CCCC/C=C/C=C/C
InChIInChI=1S/C12H18O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3-7H,2,8-11H2,1H3/b5-3+,7-6+
InChIKeyYHANARFJYUXAOR-TWTPFVCWSA-N
MW178.27 g/mol
LogP3.43
Rot. Bonds7

About (8E,10E)-dodeca-1,8,10-trien-3-one

(8E,10E)-dodeca-1,8,10-trien-3-one (PubChem CID 11769109) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (8E,10E)-dodeca-1,8,10-trien-3-one.

Molecular Properties

Compound Name(8E,10E)-dodeca-1,8,10-trien-3-one
PubChem CID11769109
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(8E,10E)-dodeca-1,8,10-trien-3-one
SMILESC=CC(=O)CCCC/C=C/C=C/C
InChIInChI=1S/C12H18O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3-7H,2,8-11H2,1H3/b5-3+,7-6+
InChIKeyYHANARFJYUXAOR-TWTPFVCWSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-oxodeca-2,9-dienal
CID 88506212
trideca-9,11-dienoic acid
CID 56613919
(11E)-trideca-9,11-dien-2-one
CID 161147257
(12Z,14Z)-hexadeca-12,14-dienoic acid
CID 118342328
(E)-non-2-enal;oct-1-en-3-one
CID 140527205
(5E,7E)-nona-5,7-dienoic acid
CID 5312593
undeca-1,10-dien-3-one
CID 152625957
deca-1,9-dien-3-one
CID 21443589
ethyl (8E,10E)-dodeca-6,8,10-trienoate
CID 135026135
nonadec-1-en-3-one
CID 3326465
tritriacont-1-en-3-one
CID 153436316
(10Z,12E)-pentadeca-10,12,14-trien-2-one
CID 90453411

Frequently Asked Questions

What is the IUPAC name of (8E,10E)-dodeca-1,8,10-trien-3-one?
The IUPAC name of (8E,10E)-dodeca-1,8,10-trien-3-one (CID 11769109) is (8E,10E)-dodeca-1,8,10-trien-3-one.
What is the SMILES notation for (8E,10E)-dodeca-1,8,10-trien-3-one?
The canonical SMILES for (8E,10E)-dodeca-1,8,10-trien-3-one is C=CC(=O)CCCC/C=C/C=C/C.
What is the InChIKey of (8E,10E)-dodeca-1,8,10-trien-3-one?
The InChIKey is YHANARFJYUXAOR-TWTPFVCWSA-N. The full InChI is InChI=1S/C12H18O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3-7H,2,8-11H2,1H3/b5-3+,7-6+.
What are the key properties of (8E,10E)-dodeca-1,8,10-trien-3-one?
(8E,10E)-dodeca-1,8,10-trien-3-one has a molecular weight of 178.27 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8E,10E)-dodeca-1,8,10-trien-3-one is sourced from PubChem (CID 11769109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).