4,4-dimethyl-1-phenylpentan-3-one

C13H18O — CID 11194826

IUPAC4,4-dimethyl-1-phenylpentan-3-one
SMILESCC(C)(C)C(=O)CCc1ccccc1
InChIInChI=1S/C13H18O/c1-13(2,3)12(14)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyABLXCWZAGVGYGN-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.23
Rot. Bonds3

About 4,4-dimethyl-1-phenylpentan-3-one

4,4-dimethyl-1-phenylpentan-3-one (PubChem CID 11194826) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 4,4-dimethyl-1-phenylpentan-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1-phenylpentan-3-one
PubChem CID11194826
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name4,4-dimethyl-1-phenylpentan-3-one
SMILESCC(C)(C)C(=O)CCc1ccccc1
InChIInChI=1S/C13H18O/c1-13(2,3)12(14)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyABLXCWZAGVGYGN-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-phenylpentan-3-one?
The IUPAC name of 4,4-dimethyl-1-phenylpentan-3-one (CID 11194826) is 4,4-dimethyl-1-phenylpentan-3-one.
What is the SMILES notation for 4,4-dimethyl-1-phenylpentan-3-one?
The canonical SMILES for 4,4-dimethyl-1-phenylpentan-3-one is CC(C)(C)C(=O)CCc1ccccc1.
What is the InChIKey of 4,4-dimethyl-1-phenylpentan-3-one?
The InChIKey is ABLXCWZAGVGYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-13(2,3)12(14)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-phenylpentan-3-one?
4,4-dimethyl-1-phenylpentan-3-one has a molecular weight of 190.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-phenylpentan-3-one is sourced from PubChem (CID 11194826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).