1-cyclohexyl-2-hydroxy-2-methylbutan-1-one

C11H20O2 — CID 10954214

IUPAC1-cyclohexyl-2-hydroxy-2-methylbutan-1-one
SMILESCCC(C)(O)C(=O)C1CCCCC1
InChIInChI=1S/C11H20O2/c1-3-11(2,13)10(12)9-7-5-4-6-8-9/h9,13H,3-8H2,1-2H3
InChIKeyKGCMQJVVMBKGIX-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.30
Rot. Bonds3

About 1-cyclohexyl-2-hydroxy-2-methylbutan-1-one

1-cyclohexyl-2-hydroxy-2-methylbutan-1-one (PubChem CID 10954214) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-cyclohexyl-2-hydroxy-2-methylbutan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-2-hydroxy-2-methylbutan-1-one
PubChem CID10954214
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-cyclohexyl-2-hydroxy-2-methylbutan-1-one
SMILESCCC(C)(O)C(=O)C1CCCCC1
InChIInChI=1S/C11H20O2/c1-3-11(2,13)10(12)9-7-5-4-6-8-9/h9,13H,3-8H2,1-2H3
InChIKeyKGCMQJVVMBKGIX-UHFFFAOYSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-hydroxy-2-methylbutan-1-one?
The IUPAC name of 1-cyclohexyl-2-hydroxy-2-methylbutan-1-one (CID 10954214) is 1-cyclohexyl-2-hydroxy-2-methylbutan-1-one.
What is the SMILES notation for 1-cyclohexyl-2-hydroxy-2-methylbutan-1-one?
The canonical SMILES for 1-cyclohexyl-2-hydroxy-2-methylbutan-1-one is CCC(C)(O)C(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-hydroxy-2-methylbutan-1-one?
The InChIKey is KGCMQJVVMBKGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-11(2,13)10(12)9-7-5-4-6-8-9/h9,13H,3-8H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-hydroxy-2-methylbutan-1-one?
1-cyclohexyl-2-hydroxy-2-methylbutan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-hydroxy-2-methylbutan-1-one is sourced from PubChem (CID 10954214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).