2,2-dimethyl-5-phenylheptan-3-one

C15H22O — CID 15091945

IUPAC2,2-dimethyl-5-phenylheptan-3-one
SMILESCCC(CC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H22O/c1-5-12(11-14(16)15(2,3)4)13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3
InChIKeyLEYMLIOKAOJUHT-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.19
Rot. Bonds4

About 2,2-dimethyl-5-phenylheptan-3-one

2,2-dimethyl-5-phenylheptan-3-one (PubChem CID 15091945) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,2-dimethyl-5-phenylheptan-3-one.

Molecular Properties

Compound Name2,2-dimethyl-5-phenylheptan-3-one
PubChem CID15091945
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2,2-dimethyl-5-phenylheptan-3-one
SMILESCCC(CC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H22O/c1-5-12(11-14(16)15(2,3)4)13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3
InChIKeyLEYMLIOKAOJUHT-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(3S)-3-phenylpentanoyl chloride
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(3R)-1,3-diphenylpentan-1-one
CID 11042799
2,2,8,8-tetramethyl-5-pyridin-1-ium-4-ylnonane-3,7-dione
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N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide
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5-(1-hydroxypyridin-1-ium-4-yl)-2,2,8,8-tetramethylnonane-3,7-dione
CID 126957324
azane;pentan-3-ylbenzene
CID 19774895
pentan-3-ylbenzene;selenic acid
CID 175520254
N-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide
CID 111483351
(5S,6S)-2,2,6,8-tetramethyl-5-phenylnonane-3,7-dione
CID 134905612
(2R)-2-phenyl-2-(3-phenylpentanoylamino)acetic acid
CID 119368014

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-phenylheptan-3-one?
The IUPAC name of 2,2-dimethyl-5-phenylheptan-3-one (CID 15091945) is 2,2-dimethyl-5-phenylheptan-3-one.
What is the SMILES notation for 2,2-dimethyl-5-phenylheptan-3-one?
The canonical SMILES for 2,2-dimethyl-5-phenylheptan-3-one is CCC(CC(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-5-phenylheptan-3-one?
The InChIKey is LEYMLIOKAOJUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-5-12(11-14(16)15(2,3)4)13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-phenylheptan-3-one?
2,2-dimethyl-5-phenylheptan-3-one has a molecular weight of 218.34 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-phenylheptan-3-one is sourced from PubChem (CID 15091945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).