deca-3,6,9-trien-2-one

C10H14O — CID 139932510

IUPACdeca-3,6,9-trien-2-one
SMILESC=CCC=CCC=CC(C)=O
InChIInChI=1S/C10H14O/c1-3-4-5-6-7-8-9-10(2)11/h3,5-6,8-9H,1,4,7H2,2H3
InChIKeyMNCNZVKNCCXDCG-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds5

About deca-3,6,9-trien-2-one

deca-3,6,9-trien-2-one (PubChem CID 139932510) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is deca-3,6,9-trien-2-one.

Molecular Properties

Compound Namedeca-3,6,9-trien-2-one
PubChem CID139932510
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Namedeca-3,6,9-trien-2-one
SMILESC=CCC=CCC=CC(C)=O
InChIInChI=1S/C10H14O/c1-3-4-5-6-7-8-9-10(2)11/h3,5-6,8-9H,1,4,7H2,2H3
InChIKeyMNCNZVKNCCXDCG-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

octa-2,4,7-trienoic acid
CID 173345547
(4Z)-octa-1,4,7-trien-3-one
CID 134866608
(2E)-1-trimethylsilylhexa-2,5-dien-1-one
CID 11126675
(E)-5-prop-2-enoxypent-3-en-2-one
CID 45085584
acetic acid;hexa-1,4-diene
CID 174398643
methyl (3Z,6Z)-deca-3,6,9-trienoate
CID 118680106
6,7-difluoroocta-1,4,6-triene
CID 91531817
(3Z,5Z)-2-methylnona-1,3,5,8-tetraene
CID 144596669
(3E,10Z,13Z)-nonadeca-3,10,13-trien-2-one
CID 102012881
(3E,6E)-6-methyl-5-propan-2-ylidenedeca-3,6,9-trien-2-one
CID 5363925
6-oxohexadeca-7,9,12,15-tetraenoic acid
CID 162951018
(3E)-N,N-dimethylhepta-3,6-dienamide
CID 88571457

Frequently Asked Questions

What is the IUPAC name of deca-3,6,9-trien-2-one?
The IUPAC name of deca-3,6,9-trien-2-one (CID 139932510) is deca-3,6,9-trien-2-one.
What is the SMILES notation for deca-3,6,9-trien-2-one?
The canonical SMILES for deca-3,6,9-trien-2-one is C=CCC=CCC=CC(C)=O.
What is the InChIKey of deca-3,6,9-trien-2-one?
The InChIKey is MNCNZVKNCCXDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-4-5-6-7-8-9-10(2)11/h3,5-6,8-9H,1,4,7H2,2H3.
What are the key properties of deca-3,6,9-trien-2-one?
deca-3,6,9-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 deca-3,6,9-trien-2-one is sourced from PubChem (CID 139932510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).