4,4-dimethyl-1-naphthalen-1-ylpentan-2-one

C17H20O — CID 61055866

IUPAC4,4-dimethyl-1-naphthalen-1-ylpentan-2-one
SMILESCC(C)(C)CC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C17H20O/c1-17(2,3)12-15(18)11-14-9-6-8-13-7-4-5-10-16(13)14/h4-10H,11-12H2,1-3H3
InChIKeyHBIGIUPHQDQLEP-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.39
Rot. Bonds3

About 4,4-dimethyl-1-naphthalen-1-ylpentan-2-one

4,4-dimethyl-1-naphthalen-1-ylpentan-2-one (PubChem CID 61055866) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 4,4-dimethyl-1-naphthalen-1-ylpentan-2-one.

Molecular Properties

Compound Name4,4-dimethyl-1-naphthalen-1-ylpentan-2-one
PubChem CID61055866
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name4,4-dimethyl-1-naphthalen-1-ylpentan-2-one
SMILESCC(C)(C)CC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C17H20O/c1-17(2,3)12-15(18)11-14-9-6-8-13-7-4-5-10-16(13)14/h4-10H,11-12H2,1-3H3
InChIKeyHBIGIUPHQDQLEP-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-naphthalen-1-ylbutan-2-one
CID 4564544
tert-butyl 5-naphthalen-1-yl-4-oxopentanoate
CID 159291703
1-hydroxy-3-naphthalen-1-ylpropan-2-one
CID 57239921
1-naphthalen-1-ylpentane-2,4-dione
CID 54264117
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
2,2-dimethyl-3-naphthalen-1-ylpropanamide
CID 90911277
1-(2-chloro-3-fluorophenyl)-4,4-dimethylpentan-2-one
CID 112653318
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
1-(2,2-dimethylpropyl)naphthalene;methane
CID 145304916

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-naphthalen-1-ylpentan-2-one?
The IUPAC name of 4,4-dimethyl-1-naphthalen-1-ylpentan-2-one (CID 61055866) is 4,4-dimethyl-1-naphthalen-1-ylpentan-2-one.
What is the SMILES notation for 4,4-dimethyl-1-naphthalen-1-ylpentan-2-one?
The canonical SMILES for 4,4-dimethyl-1-naphthalen-1-ylpentan-2-one is CC(C)(C)CC(=O)Cc1cccc2ccccc12.
What is the InChIKey of 4,4-dimethyl-1-naphthalen-1-ylpentan-2-one?
The InChIKey is HBIGIUPHQDQLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-17(2,3)12-15(18)11-14-9-6-8-13-7-4-5-10-16(13)14/h4-10H,11-12H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-naphthalen-1-ylpentan-2-one?
4,4-dimethyl-1-naphthalen-1-ylpentan-2-one has a molecular weight of 240.35 g/mol, XLogP of 4.39, 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-naphthalen-1-ylpentan-2-one is sourced from PubChem (CID 61055866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).