(2R,3S)-2-cyclohexyl-3-ethoxy-3-methyloxetane

C12H22O2 — CID 162399724

IUPAC(2R,3S)-2-cyclohexyl-3-ethoxy-3-methyloxetane
SMILESCCO[C@@]1(C)CO[C@@H]1C1CCCCC1
InChIInChI=1S/C12H22O2/c1-3-14-12(2)9-13-11(12)10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3/t11-,12+/m1/s1
InChIKeyCCHIRRGLUSHFHV-NEPJUHHUSA-N
MW198.31 g/mol
LogP2.76
Rot. Bonds3

About (2R,3S)-2-cyclohexyl-3-ethoxy-3-methyloxetane

(2R,3S)-2-cyclohexyl-3-ethoxy-3-methyloxetane (PubChem CID 162399724) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2R,3S)-2-cyclohexyl-3-ethoxy-3-methyloxetane.

Molecular Properties

Compound Name(2R,3S)-2-cyclohexyl-3-ethoxy-3-methyloxetane
PubChem CID162399724
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(2R,3S)-2-cyclohexyl-3-ethoxy-3-methyloxetane
SMILESCCO[C@@]1(C)CO[C@@H]1C1CCCCC1
InChIInChI=1S/C12H22O2/c1-3-14-12(2)9-13-11(12)10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3/t11-,12+/m1/s1
InChIKeyCCHIRRGLUSHFHV-NEPJUHHUSA-N
XLogP2.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-cyclohexyl-3-ethoxy-3-methyloxetane?
The IUPAC name of (2R,3S)-2-cyclohexyl-3-ethoxy-3-methyloxetane (CID 162399724) is (2R,3S)-2-cyclohexyl-3-ethoxy-3-methyloxetane.
What is the SMILES notation for (2R,3S)-2-cyclohexyl-3-ethoxy-3-methyloxetane?
The canonical SMILES for (2R,3S)-2-cyclohexyl-3-ethoxy-3-methyloxetane is CCO[C@@]1(C)CO[C@@H]1C1CCCCC1.
What is the InChIKey of (2R,3S)-2-cyclohexyl-3-ethoxy-3-methyloxetane?
The InChIKey is CCHIRRGLUSHFHV-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-14-12(2)9-13-11(12)10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (2R,3S)-2-cyclohexyl-3-ethoxy-3-methyloxetane?
(2R,3S)-2-cyclohexyl-3-ethoxy-3-methyloxetane has a molecular weight of 198.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-cyclohexyl-3-ethoxy-3-methyloxetane is sourced from PubChem (CID 162399724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).