2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one

C10H18O2 — CID 12608339

IUPAC2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one
SMILESCC1CCC(O)(C(C)C)C(=O)C1
InChIInChI=1S/C10H18O2/c1-7(2)10(12)5-4-8(3)6-9(10)11/h7-8,12H,4-6H2,1-3H3
InChIKeyFIPCVTLYVPYVMZ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.76
Rot. Bonds1

About 2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one

2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one (PubChem CID 12608339) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one
PubChem CID12608339
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one
SMILESCC1CCC(O)(C(C)C)C(=O)C1
InChIInChI=1S/C10H18O2/c1-7(2)10(12)5-4-8(3)6-9(10)11/h7-8,12H,4-6H2,1-3H3
InChIKeyFIPCVTLYVPYVMZ-UHFFFAOYSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one (CID 12608339) is 2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one is CC1CCC(O)(C(C)C)C(=O)C1.
What is the InChIKey of 2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one?
The InChIKey is FIPCVTLYVPYVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)10(12)5-4-8(3)6-9(10)11/h7-8,12H,4-6H2,1-3H3.
What are the key properties of 2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one?
2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one has a molecular weight of 170.25 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 12608339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).