(4R)-4-[(1S)-1-cyclohexylethoxy]pentan-2-one

C13H24O2 — CID 11095930

IUPAC(4R)-4-[(1S)-1-cyclohexylethoxy]pentan-2-one
SMILESCC(=O)C[C@@H](C)O[C@@H](C)C1CCCCC1
InChIInChI=1S/C13H24O2/c1-10(14)9-11(2)15-12(3)13-7-5-4-6-8-13/h11-13H,4-9H2,1-3H3/t11-,12+/m1/s1
InChIKeyZPSZQOXRXBVYIF-NEPJUHHUSA-N
MW212.33 g/mol
LogP3.34
Rot. Bonds5

About (4R)-4-[(1S)-1-cyclohexylethoxy]pentan-2-one

(4R)-4-[(1S)-1-cyclohexylethoxy]pentan-2-one (PubChem CID 11095930) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-cyclohexylethoxy]pentan-2-one.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-cyclohexylethoxy]pentan-2-one
PubChem CID11095930
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(4R)-4-[(1S)-1-cyclohexylethoxy]pentan-2-one
SMILESCC(=O)C[C@@H](C)O[C@@H](C)C1CCCCC1
InChIInChI=1S/C13H24O2/c1-10(14)9-11(2)15-12(3)13-7-5-4-6-8-13/h11-13H,4-9H2,1-3H3/t11-,12+/m1/s1
InChIKeyZPSZQOXRXBVYIF-NEPJUHHUSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-1-cyclohexylethoxy]pentan-2-one?
The IUPAC name of (4R)-4-[(1S)-1-cyclohexylethoxy]pentan-2-one (CID 11095930) is (4R)-4-[(1S)-1-cyclohexylethoxy]pentan-2-one.
What is the SMILES notation for (4R)-4-[(1S)-1-cyclohexylethoxy]pentan-2-one?
The canonical SMILES for (4R)-4-[(1S)-1-cyclohexylethoxy]pentan-2-one is CC(=O)C[C@@H](C)O[C@@H](C)C1CCCCC1.
What is the InChIKey of (4R)-4-[(1S)-1-cyclohexylethoxy]pentan-2-one?
The InChIKey is ZPSZQOXRXBVYIF-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H24O2/c1-10(14)9-11(2)15-12(3)13-7-5-4-6-8-13/h11-13H,4-9H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of (4R)-4-[(1S)-1-cyclohexylethoxy]pentan-2-one?
(4R)-4-[(1S)-1-cyclohexylethoxy]pentan-2-one has a molecular weight of 212.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-cyclohexylethoxy]pentan-2-one is sourced from PubChem (CID 11095930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).