(3R)-3-hydroxy-2,2-dimethylcyclohexan-1-one

C8H14O2 — CID 13497549

IUPAC(3R)-3-hydroxy-2,2-dimethylcyclohexan-1-one
SMILESCC1(C)C(=O)CCC[C@H]1O
InChIInChI=1S/C8H14O2/c1-8(2)6(9)4-3-5-7(8)10/h6,9H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyMAGFJLNBFXFQGX-ZCFIWIBFSA-N
MW142.20 g/mol
LogP1.13
Rot. Bonds

About (3R)-3-hydroxy-2,2-dimethylcyclohexan-1-one

(3R)-3-hydroxy-2,2-dimethylcyclohexan-1-one (PubChem CID 13497549) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3R)-3-hydroxy-2,2-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-2,2-dimethylcyclohexan-1-one
PubChem CID13497549
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(3R)-3-hydroxy-2,2-dimethylcyclohexan-1-one
SMILESCC1(C)C(=O)CCC[C@H]1O
InChIInChI=1S/C8H14O2/c1-8(2)6(9)4-3-5-7(8)10/h6,9H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyMAGFJLNBFXFQGX-ZCFIWIBFSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-2,2-dimethylcyclohexan-1-one?
The IUPAC name of (3R)-3-hydroxy-2,2-dimethylcyclohexan-1-one (CID 13497549) is (3R)-3-hydroxy-2,2-dimethylcyclohexan-1-one.
What is the SMILES notation for (3R)-3-hydroxy-2,2-dimethylcyclohexan-1-one?
The canonical SMILES for (3R)-3-hydroxy-2,2-dimethylcyclohexan-1-one is CC1(C)C(=O)CCC[C@H]1O.
What is the InChIKey of (3R)-3-hydroxy-2,2-dimethylcyclohexan-1-one?
The InChIKey is MAGFJLNBFXFQGX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(2)6(9)4-3-5-7(8)10/h6,9H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of (3R)-3-hydroxy-2,2-dimethylcyclohexan-1-one?
(3R)-3-hydroxy-2,2-dimethylcyclohexan-1-one has a molecular weight of 142.20 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-2,2-dimethylcyclohexan-1-one is sourced from PubChem (CID 13497549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).