(5R)-3-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one

C10H18O2 — CID 11988137

IUPAC(5R)-3-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1C(=O)C[C@H](C)CC1O
InChIInChI=1S/C10H18O2/c1-6(2)10-8(11)4-7(3)5-9(10)12/h6-8,10-11H,4-5H2,1-3H3/t7-,8?,10?/m1/s1
InChIKeyGEYCROHXUAMOSF-ZNFPMYQNSA-N
MW170.25 g/mol
LogP1.62
Rot. Bonds1

About (5R)-3-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one

(5R)-3-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one (PubChem CID 11988137) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (5R)-3-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name(5R)-3-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one
PubChem CID11988137
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(5R)-3-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1C(=O)C[C@H](C)CC1O
InChIInChI=1S/C10H18O2/c1-6(2)10-8(11)4-7(3)5-9(10)12/h6-8,10-11H,4-5H2,1-3H3/t7-,8?,10?/m1/s1
InChIKeyGEYCROHXUAMOSF-ZNFPMYQNSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one?
The IUPAC name of (5R)-3-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one (CID 11988137) is (5R)-3-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for (5R)-3-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one?
The canonical SMILES for (5R)-3-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one is CC(C)C1C(=O)C[C@H](C)CC1O.
What is the InChIKey of (5R)-3-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one?
The InChIKey is GEYCROHXUAMOSF-ZNFPMYQNSA-N. The full InChI is InChI=1S/C10H18O2/c1-6(2)10-8(11)4-7(3)5-9(10)12/h6-8,10-11H,4-5H2,1-3H3/t7-,8?,10?/m1/s1.
What are the key properties of (5R)-3-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one?
(5R)-3-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one has a molecular weight of 170.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 11988137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).