(4R)-4-hydroxy-4-(1-methylcyclohexyl)butan-2-one

C11H20O2 — CID 102339002

IUPAC(4R)-4-hydroxy-4-(1-methylcyclohexyl)butan-2-one
SMILESCC(=O)C[C@@H](O)C1(C)CCCCC1
InChIInChI=1S/C11H20O2/c1-9(12)8-10(13)11(2)6-4-3-5-7-11/h10,13H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyFAXQWHPYPFSMHJ-SNVBAGLBSA-N
MW184.28 g/mol
LogP2.30
Rot. Bonds3

About (4R)-4-hydroxy-4-(1-methylcyclohexyl)butan-2-one

(4R)-4-hydroxy-4-(1-methylcyclohexyl)butan-2-one (PubChem CID 102339002) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (4R)-4-hydroxy-4-(1-methylcyclohexyl)butan-2-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-4-(1-methylcyclohexyl)butan-2-one
PubChem CID102339002
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(4R)-4-hydroxy-4-(1-methylcyclohexyl)butan-2-one
SMILESCC(=O)C[C@@H](O)C1(C)CCCCC1
InChIInChI=1S/C11H20O2/c1-9(12)8-10(13)11(2)6-4-3-5-7-11/h10,13H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyFAXQWHPYPFSMHJ-SNVBAGLBSA-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 (4R)-4-hydroxy-4-(1-methylcyclohexyl)butan-2-one?
The IUPAC name of (4R)-4-hydroxy-4-(1-methylcyclohexyl)butan-2-one (CID 102339002) is (4R)-4-hydroxy-4-(1-methylcyclohexyl)butan-2-one.
What is the SMILES notation for (4R)-4-hydroxy-4-(1-methylcyclohexyl)butan-2-one?
The canonical SMILES for (4R)-4-hydroxy-4-(1-methylcyclohexyl)butan-2-one is CC(=O)C[C@@H](O)C1(C)CCCCC1.
What is the InChIKey of (4R)-4-hydroxy-4-(1-methylcyclohexyl)butan-2-one?
The InChIKey is FAXQWHPYPFSMHJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(12)8-10(13)11(2)6-4-3-5-7-11/h10,13H,3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (4R)-4-hydroxy-4-(1-methylcyclohexyl)butan-2-one?
(4R)-4-hydroxy-4-(1-methylcyclohexyl)butan-2-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 (4R)-4-hydroxy-4-(1-methylcyclohexyl)butan-2-one is sourced from PubChem (CID 102339002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).