3-methylnona-3,5-dien-2-one

C10H16O — CID 173004598

IUPAC3-methylnona-3,5-dien-2-one
SMILESCCCC=CC=C(C)C(C)=O
InChIInChI=1S/C10H16O/c1-4-5-6-7-8-9(2)10(3)11/h6-8H,4-5H2,1-3H3
InChIKeyAEVGTKIDDGVGCX-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.88
Rot. Bonds4

About 3-methylnona-3,5-dien-2-one

3-methylnona-3,5-dien-2-one (PubChem CID 173004598) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-methylnona-3,5-dien-2-one.

Molecular Properties

Compound Name3-methylnona-3,5-dien-2-one
PubChem CID173004598
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-methylnona-3,5-dien-2-one
SMILESCCCC=CC=C(C)C(C)=O
InChIInChI=1S/C10H16O/c1-4-5-6-7-8-9(2)10(3)11/h6-8H,4-5H2,1-3H3
InChIKeyAEVGTKIDDGVGCX-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-methyldeca-2,4,6-trienoic acid
CID 54490128
(3E)-nona-3,5-dien-2-one
CID 131243861
(3Z,5E)-3-methylnona-1,3,5-trien-2-ol
CID 142863796
3-methyl-2-methylidenenona-3,5-dienenitrile
CID 123694554
(2Z,4E)-2-hydroxyocta-2,4-dienoic acid
CID 87665595
(2E,4E)-2-methylheptacosa-2,4-dienamide
CID 169003266
(2E,4E)-2-methylpentadeca-2,4-dienamide
CID 169003282
2-methylpentadeca-2,4-dienamide
CID 168877600
2-methyldodeca-2,4-dienamide
CID 168877598
2-methyltrideca-2,4-dienamide
CID 154353968
3-methylnona-1,3,5-triene
CID 154088357
(3Z,5Z)-3-methylnona-1,3,5-triene
CID 144680511

Frequently Asked Questions

What is the IUPAC name of 3-methylnona-3,5-dien-2-one?
The IUPAC name of 3-methylnona-3,5-dien-2-one (CID 173004598) is 3-methylnona-3,5-dien-2-one.
What is the SMILES notation for 3-methylnona-3,5-dien-2-one?
The canonical SMILES for 3-methylnona-3,5-dien-2-one is CCCC=CC=C(C)C(C)=O.
What is the InChIKey of 3-methylnona-3,5-dien-2-one?
The InChIKey is AEVGTKIDDGVGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-4-5-6-7-8-9(2)10(3)11/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-methylnona-3,5-dien-2-one?
3-methylnona-3,5-dien-2-one has a molecular weight of 152.24 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylnona-3,5-dien-2-one is sourced from PubChem (CID 173004598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).