deca-7,9-dien-3-one

C10H16O — CID 141369431

IUPACdeca-7,9-dien-3-one
SMILESC=CC=CCCCC(=O)CC
InChIInChI=1S/C10H16O/c1-3-5-6-7-8-9-10(11)4-2/h3,5-6H,1,4,7-9H2,2H3
InChIKeyLJKWXLAQGMZPPV-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.88
Rot. Bonds6

About deca-7,9-dien-3-one

deca-7,9-dien-3-one (PubChem CID 141369431) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is deca-7,9-dien-3-one.

Molecular Properties

Compound Namedeca-7,9-dien-3-one
PubChem CID141369431
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Namedeca-7,9-dien-3-one
SMILESC=CC=CCCCC(=O)CC
InChIInChI=1S/C10H16O/c1-3-5-6-7-8-9-10(11)4-2/h3,5-6H,1,4,7-9H2,2H3
InChIKeyLJKWXLAQGMZPPV-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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undeca-8,10-diene-3,5-dione
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(5E)-octa-5,7-dienamide
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tetradeca-1,3-dien-7-one
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methyl (2E,11E)-7-oxotetradeca-2,11,13-trienoate
CID 10868711
10-oxododec-2-enal
CID 175604866
(E)-undec-9-en-3-one
CID 22074109
ethyl (6Z)-nona-6,8-dienoate
CID 11001790
[(16E)-4-oxononadeca-16,18-dienyl] acetate
CID 155469080
pentadec-10-en-3-one
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dodeca-1,3-dien-6-one
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Frequently Asked Questions

What is the IUPAC name of deca-7,9-dien-3-one?
The IUPAC name of deca-7,9-dien-3-one (CID 141369431) is deca-7,9-dien-3-one.
What is the SMILES notation for deca-7,9-dien-3-one?
The canonical SMILES for deca-7,9-dien-3-one is C=CC=CCCCC(=O)CC.
What is the InChIKey of deca-7,9-dien-3-one?
The InChIKey is LJKWXLAQGMZPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-5-6-7-8-9-10(11)4-2/h3,5-6H,1,4,7-9H2,2H3.
What are the key properties of deca-7,9-dien-3-one?
deca-7,9-dien-3-one has a molecular weight of 152.24 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deca-7,9-dien-3-one is sourced from PubChem (CID 141369431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).