(3R)-3-(cyclohexanecarbonyl)cyclohexan-1-one

C13H20O2 — CID 146165342

IUPAC(3R)-3-(cyclohexanecarbonyl)cyclohexan-1-one
SMILESO=C1CCC[C@@H](C(=O)C2CCCCC2)C1
InChIInChI=1S/C13H20O2/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h10-11H,1-9H2/t11-/m1/s1
InChIKeyYMGLSIQXGYSOFU-LLVKDONJSA-N
MW208.30 g/mol
LogP2.90
Rot. Bonds2

About (3R)-3-(cyclohexanecarbonyl)cyclohexan-1-one

(3R)-3-(cyclohexanecarbonyl)cyclohexan-1-one (PubChem CID 146165342) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (3R)-3-(cyclohexanecarbonyl)cyclohexan-1-one.

Molecular Properties

Compound Name(3R)-3-(cyclohexanecarbonyl)cyclohexan-1-one
PubChem CID146165342
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(3R)-3-(cyclohexanecarbonyl)cyclohexan-1-one
SMILESO=C1CCC[C@@H](C(=O)C2CCCCC2)C1
InChIInChI=1S/C13H20O2/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h10-11H,1-9H2/t11-/m1/s1
InChIKeyYMGLSIQXGYSOFU-LLVKDONJSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclohexanecarbonyl)cyclohexan-1-one?
The IUPAC name of (3R)-3-(cyclohexanecarbonyl)cyclohexan-1-one (CID 146165342) is (3R)-3-(cyclohexanecarbonyl)cyclohexan-1-one.
What is the SMILES notation for (3R)-3-(cyclohexanecarbonyl)cyclohexan-1-one?
The canonical SMILES for (3R)-3-(cyclohexanecarbonyl)cyclohexan-1-one is O=C1CCC[C@@H](C(=O)C2CCCCC2)C1.
What is the InChIKey of (3R)-3-(cyclohexanecarbonyl)cyclohexan-1-one?
The InChIKey is YMGLSIQXGYSOFU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20O2/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h10-11H,1-9H2/t11-/m1/s1.
What are the key properties of (3R)-3-(cyclohexanecarbonyl)cyclohexan-1-one?
(3R)-3-(cyclohexanecarbonyl)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 (3R)-3-(cyclohexanecarbonyl)cyclohexan-1-one is sourced from PubChem (CID 146165342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).