(2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one

C13H20O2 — CID 915648

IUPAC(2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one
SMILESO=C1CCCC[C@@H]1C[C@H]1CCCCC1=O
InChIInChI=1S/C13H20O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h10-11H,1-9H2/t10-,11-/m1/s1
InChIKeyCNVYERSDZLTUQK-GHMZBOCLSA-N
MW208.30 g/mol
LogP2.90
Rot. Bonds2

About (2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one

(2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one (PubChem CID 915648) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one
PubChem CID915648
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one
SMILESO=C1CCCC[C@@H]1C[C@H]1CCCCC1=O
InChIInChI=1S/C13H20O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h10-11H,1-9H2/t10-,11-/m1/s1
InChIKeyCNVYERSDZLTUQK-GHMZBOCLSA-N
XLogP2.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-dioxan-2-ylmethyl)cyclohexan-1-one
CID 102370100
2-[(2-hydroxyiminocyclooctyl)methyl]cyclooctan-1-one
CID 163859267
2-(aminomethyl)cycloheptan-1-one
CID 84731152
2-(hydroxymethyl)cycloheptan-1-one
CID 13140470
2-[(2,2-difluorocyclopentyl)methyl]cyclohexan-1-one
CID 130905676
2-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-one
CID 103131716
2,2-dimethyl-5-[(2-oxocyclohexyl)methyl]-1,3-dioxane-4,6-dione
CID 11139676
(2R)-2-[(2E)-penta-2,4-dienyl]cyclohexan-1-one
CID 129321670
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cycloheptan-1-one
CID 79220650
2-(2-oxocyclohexyl)acetate
CID 21196476
(2S)-2-(3-methylbutyl)cyclohexan-1-one
CID 101110174
2-(3-methylbutyl)cyclohexan-1-one
CID 12840280

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one?
The IUPAC name of (2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one (CID 915648) is (2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one.
What is the SMILES notation for (2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one?
The canonical SMILES for (2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one is O=C1CCCC[C@@H]1C[C@H]1CCCCC1=O.
What is the InChIKey of (2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one?
The InChIKey is CNVYERSDZLTUQK-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H20O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h10-11H,1-9H2/t10-,11-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one?
(2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one has a molecular weight of 208.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one is sourced from PubChem (CID 915648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).