(2R)-2-ethyl-2-(2-oxopropyl)cyclohexan-1-one

C11H18O2 — CID 10442347

IUPAC(2R)-2-ethyl-2-(2-oxopropyl)cyclohexan-1-one
SMILESCC[C@]1(CC(C)=O)CCCCC1=O
InChIInChI=1S/C11H18O2/c1-3-11(8-9(2)12)7-5-4-6-10(11)13/h3-8H2,1-2H3/t11-/m1/s1
InChIKeyKDPSIANEWCSARC-LLVKDONJSA-N
MW182.26 g/mol
LogP2.51
Rot. Bonds3

About (2R)-2-ethyl-2-(2-oxopropyl)cyclohexan-1-one

(2R)-2-ethyl-2-(2-oxopropyl)cyclohexan-1-one (PubChem CID 10442347) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2R)-2-ethyl-2-(2-oxopropyl)cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-ethyl-2-(2-oxopropyl)cyclohexan-1-one
PubChem CID10442347
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2R)-2-ethyl-2-(2-oxopropyl)cyclohexan-1-one
SMILESCC[C@]1(CC(C)=O)CCCCC1=O
InChIInChI=1S/C11H18O2/c1-3-11(8-9(2)12)7-5-4-6-10(11)13/h3-8H2,1-2H3/t11-/m1/s1
InChIKeyKDPSIANEWCSARC-LLVKDONJSA-N
XLogP2.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1S)-1-ethyl-2-oxocyclohexyl]propanoic acid
CID 54536642
(2S)-2-(2-chloroprop-2-enyl)-2-ethylcyclopentan-1-one
CID 134953462
methyl 2-(2-oxo-1-propylcyclohexyl)acetate
CID 18945516
2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid
CID 90921399
2,2-bis[(dimethylamino)methyl]cyclohexan-1-one
CID 53411153
methyl 3-(2-oxo-1-propylcyclohexyl)propanoate
CID 22757286
2,2-bis[(dipropylamino)methyl]cyclohexan-1-one
CID 154238302
2,2-dimethylcyclohexan-1-one;propanoic acid
CID 70117547
1-ethyl-2-oxocyclopentane-1-carboxylate
CID 23218203
2-nitro-2-(3-oxobutyl)cycloheptan-1-one
CID 11436099
2-methyl-2-(2-oxopropyl)cyclopentane-1,3-dione
CID 12546161
ethyl 1-ethyl-2-oxocycloheptane-1-carboxylate
CID 15074127

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-2-(2-oxopropyl)cyclohexan-1-one?
The IUPAC name of (2R)-2-ethyl-2-(2-oxopropyl)cyclohexan-1-one (CID 10442347) is (2R)-2-ethyl-2-(2-oxopropyl)cyclohexan-1-one.
What is the SMILES notation for (2R)-2-ethyl-2-(2-oxopropyl)cyclohexan-1-one?
The canonical SMILES for (2R)-2-ethyl-2-(2-oxopropyl)cyclohexan-1-one is CC[C@]1(CC(C)=O)CCCCC1=O.
What is the InChIKey of (2R)-2-ethyl-2-(2-oxopropyl)cyclohexan-1-one?
The InChIKey is KDPSIANEWCSARC-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-11(8-9(2)12)7-5-4-6-10(11)13/h3-8H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-ethyl-2-(2-oxopropyl)cyclohexan-1-one?
(2R)-2-ethyl-2-(2-oxopropyl)cyclohexan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-2-(2-oxopropyl)cyclohexan-1-one is sourced from PubChem (CID 10442347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).