7,7-dimethyl-1-phenyloctan-4-one

C16H24O — CID 105093400

IUPAC7,7-dimethyl-1-phenyloctan-4-one
SMILESCC(C)(C)CCC(=O)CCCc1ccccc1
InChIInChI=1S/C16H24O/c1-16(2,3)13-12-15(17)11-7-10-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3
InChIKeyBYDVRVOSCQYRDS-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.40
Rot. Bonds6

About 7,7-dimethyl-1-phenyloctan-4-one

7,7-dimethyl-1-phenyloctan-4-one (PubChem CID 105093400) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 7,7-dimethyl-1-phenyloctan-4-one.

Molecular Properties

Compound Name7,7-dimethyl-1-phenyloctan-4-one
PubChem CID105093400
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name7,7-dimethyl-1-phenyloctan-4-one
SMILESCC(C)(C)CCC(=O)CCCc1ccccc1
InChIInChI=1S/C16H24O/c1-16(2,3)13-12-15(17)11-7-10-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3
InChIKeyBYDVRVOSCQYRDS-UHFFFAOYSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-amino-7,7-dimethyl-1-phenylnonan-4-one
CID 116574757
1,9-diphenylnonan-5-one
CID 23467830
1-methylalumanyl-7-phenylheptan-4-one
CID 173147112
1-(methylamino)-7-phenylheptan-4-one
CID 116555547
8-amino-1-phenyloctan-4-one
CID 116571907
5-phenylpentan-2-one
CID 16701
27,27-dimethyloctacosylbenzene
CID 140589361
5,5-dimethyl-1-phenylmethoxyhexan-2-one
CID 131052640
6-phenyl-1-pyridin-4-ylhexan-3-one
CID 105093114
methyl 3-oxo-6-phenylhexanoate
CID 12701554
(2-methyl-5-phenylpentan-2-yl) hydrogen carbonate
CID 150202343
1-phenyloct-7-yn-4-one
CID 105100787

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-phenyloctan-4-one?
The IUPAC name of 7,7-dimethyl-1-phenyloctan-4-one (CID 105093400) is 7,7-dimethyl-1-phenyloctan-4-one.
What is the SMILES notation for 7,7-dimethyl-1-phenyloctan-4-one?
The canonical SMILES for 7,7-dimethyl-1-phenyloctan-4-one is CC(C)(C)CCC(=O)CCCc1ccccc1.
What is the InChIKey of 7,7-dimethyl-1-phenyloctan-4-one?
The InChIKey is BYDVRVOSCQYRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-16(2,3)13-12-15(17)11-7-10-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3.
What are the key properties of 7,7-dimethyl-1-phenyloctan-4-one?
7,7-dimethyl-1-phenyloctan-4-one has a molecular weight of 232.37 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-phenyloctan-4-one is sourced from PubChem (CID 105093400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).