(5R)-2,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-one

C12H22O2 — CID 135019907

IUPAC(5R)-2,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-one
SMILESC[C@@H]1CCC(C)(OC(C)(C)C)C(=O)C1
InChIInChI=1S/C12H22O2/c1-9-6-7-12(5,10(13)8-9)14-11(2,3)4/h9H,6-8H2,1-5H3/t9-,12?/m1/s1
InChIKeyVYSYOCDWWCDPFY-PKEIRNPWSA-N
MW198.31 g/mol
LogP2.95
Rot. Bonds1

About (5R)-2,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-one

(5R)-2,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-one (PubChem CID 135019907) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (5R)-2,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-one.

Molecular Properties

Compound Name(5R)-2,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-one
PubChem CID135019907
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(5R)-2,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-one
SMILESC[C@@H]1CCC(C)(OC(C)(C)C)C(=O)C1
InChIInChI=1S/C12H22O2/c1-9-6-7-12(5,10(13)8-9)14-11(2,3)4/h9H,6-8H2,1-5H3/t9-,12?/m1/s1
InChIKeyVYSYOCDWWCDPFY-PKEIRNPWSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-2,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-one?
The IUPAC name of (5R)-2,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-one (CID 135019907) is (5R)-2,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-one.
What is the SMILES notation for (5R)-2,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-one?
The canonical SMILES for (5R)-2,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-one is C[C@@H]1CCC(C)(OC(C)(C)C)C(=O)C1.
What is the InChIKey of (5R)-2,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-one?
The InChIKey is VYSYOCDWWCDPFY-PKEIRNPWSA-N. The full InChI is InChI=1S/C12H22O2/c1-9-6-7-12(5,10(13)8-9)14-11(2,3)4/h9H,6-8H2,1-5H3/t9-,12?/m1/s1.
What are the key properties of (5R)-2,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-one?
(5R)-2,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-one has a molecular weight of 198.31 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-one is sourced from PubChem (CID 135019907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).