2,4-dimethylpenta-1,3-dien-1-one

C7H10O — CID 14438256

IUPAC2,4-dimethylpenta-1,3-dien-1-one
SMILESCC(=C=O)C=C(C)C
InChIInChI=1S/C7H10O/c1-6(2)4-7(3)5-8/h4H,1-3H3
InChIKeyRDBCUDJXIBPVGN-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.73
Rot. Bonds1

About 2,4-dimethylpenta-1,3-dien-1-one

2,4-dimethylpenta-1,3-dien-1-one (PubChem CID 14438256) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 2,4-dimethylpenta-1,3-dien-1-one.

Molecular Properties

Compound Name2,4-dimethylpenta-1,3-dien-1-one
PubChem CID14438256
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name2,4-dimethylpenta-1,3-dien-1-one
SMILESCC(=C=O)C=C(C)C
InChIInChI=1S/C7H10O/c1-6(2)4-7(3)5-8/h4H,1-3H3
InChIKeyRDBCUDJXIBPVGN-UHFFFAOYSA-N
XLogP1.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methylbuta-1,3-dien-1-one
CID 88712222
2,6-dimethylhepta-2,5-dien-4-one;isocyanic acid;propan-2-one
CID 175029002
3-methylbut-2-enoic acid;propan-2-one
CID 174970520
azane;3-methylbut-2-enoic acid
CID 21422194
3-methylbut-2-enoyl iodide
CID 12715993
alumane;2-methylbut-2-ene
CID 174293100
2-methylprop-1-en-1-one;molecular iodine
CID 157139585
ethene;3-methylbut-2-enoic acid
CID 157400085
calcium;hydride;3-methylbut-2-enoic acid
CID 175564859
magnesium bis(3-methylbut-2-enoate)
CID 140862404
2-methoxy-5-methylhex-4-en-3-one
CID 79617248
2,5-dimethylhepta-2,5-dien-4-one
CID 57288955

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpenta-1,3-dien-1-one?
The IUPAC name of 2,4-dimethylpenta-1,3-dien-1-one (CID 14438256) is 2,4-dimethylpenta-1,3-dien-1-one.
What is the SMILES notation for 2,4-dimethylpenta-1,3-dien-1-one?
The canonical SMILES for 2,4-dimethylpenta-1,3-dien-1-one is CC(=C=O)C=C(C)C.
What is the InChIKey of 2,4-dimethylpenta-1,3-dien-1-one?
The InChIKey is RDBCUDJXIBPVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-6(2)4-7(3)5-8/h4H,1-3H3.
What are the key properties of 2,4-dimethylpenta-1,3-dien-1-one?
2,4-dimethylpenta-1,3-dien-1-one has a molecular weight of 110.16 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpenta-1,3-dien-1-one is sourced from PubChem (CID 14438256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).