1-[4-[(2R)-butan-2-yl]cyclohexyl]-2,2-dimethylpropan-1-one

C15H28O — CID 129093514

IUPAC1-[4-[(2R)-butan-2-yl]cyclohexyl]-2,2-dimethylpropan-1-one
SMILESCC[C@@H](C)C1CCC(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H28O/c1-6-11(2)12-7-9-13(10-8-12)14(16)15(3,4)5/h11-13H,6-10H2,1-5H3/t11-,12?,13?/m1/s1
InChIKeyVWSBPESRMUJZHZ-PNESKVBLSA-N
MW224.39 g/mol
LogP4.45
Rot. Bonds3

About 1-[4-[(2R)-butan-2-yl]cyclohexyl]-2,2-dimethylpropan-1-one

1-[4-[(2R)-butan-2-yl]cyclohexyl]-2,2-dimethylpropan-1-one (PubChem CID 129093514) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-[4-[(2R)-butan-2-yl]cyclohexyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(2R)-butan-2-yl]cyclohexyl]-2,2-dimethylpropan-1-one
PubChem CID129093514
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-[4-[(2R)-butan-2-yl]cyclohexyl]-2,2-dimethylpropan-1-one
SMILESCC[C@@H](C)C1CCC(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H28O/c1-6-11(2)12-7-9-13(10-8-12)14(16)15(3,4)5/h11-13H,6-10H2,1-5H3/t11-,12?,13?/m1/s1
InChIKeyVWSBPESRMUJZHZ-PNESKVBLSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2,2-dimethylbutan-1-one
CID 146364197
1-butan-2-yl-4-methylcyclohexane
CID 20676481
1-[4-(3,3-dimethylbut-1-en-2-yl)cyclohexyl]-2,2-dimethylpropan-1-one
CID 160987153
1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 153382511
2,2-dimethyl-1-(3-propanoylcyclohexyl)propan-1-one
CID 166711162
butan-2-ylcyclopentane;ethane
CID 143236269
butan-2-ylcyclohexadecane
CID 123713671
4-butan-2-yl-1-hydroxypiperidine
CID 59870205
butan-2-ylcyclohexane;ethane
CID 143005290
1-cyclopropyl-2-ethyl-4,4-dimethylpentane-1,3-dione
CID 165474705
1-butan-2-yl-4-propan-2-yloxycyclohexane
CID 23528463
1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one
CID 161235938

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-butan-2-yl]cyclohexyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[(2R)-butan-2-yl]cyclohexyl]-2,2-dimethylpropan-1-one (CID 129093514) is 1-[4-[(2R)-butan-2-yl]cyclohexyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[(2R)-butan-2-yl]cyclohexyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[(2R)-butan-2-yl]cyclohexyl]-2,2-dimethylpropan-1-one is CC[C@@H](C)C1CCC(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-[(2R)-butan-2-yl]cyclohexyl]-2,2-dimethylpropan-1-one?
The InChIKey is VWSBPESRMUJZHZ-PNESKVBLSA-N. The full InChI is InChI=1S/C15H28O/c1-6-11(2)12-7-9-13(10-8-12)14(16)15(3,4)5/h11-13H,6-10H2,1-5H3/t11-,12?,13?/m1/s1.
What are the key properties of 1-[4-[(2R)-butan-2-yl]cyclohexyl]-2,2-dimethylpropan-1-one?
1-[4-[(2R)-butan-2-yl]cyclohexyl]-2,2-dimethylpropan-1-one has a molecular weight of 224.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-butan-2-yl]cyclohexyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 129093514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).