[(2R,3R)-3-cyclohexyloxiran-2-yl]methanol

C9H16O2 — CID 11228930

IUPAC[(2R,3R)-3-cyclohexyloxiran-2-yl]methanol
SMILESOC[C@H]1O[C@@H]1C1CCCCC1
InChIInChI=1S/C9H16O2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h7-10H,1-6H2/t8-,9-/m1/s1
InChIKeyJHPCIQWUOSMNLK-RKDXNWHRSA-N
MW156.22 g/mol
LogP1.33
Rot. Bonds2

About [(2R,3R)-3-cyclohexyloxiran-2-yl]methanol

[(2R,3R)-3-cyclohexyloxiran-2-yl]methanol (PubChem CID 11228930) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is [(2R,3R)-3-cyclohexyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-3-cyclohexyloxiran-2-yl]methanol
PubChem CID11228930
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name[(2R,3R)-3-cyclohexyloxiran-2-yl]methanol
SMILESOC[C@H]1O[C@@H]1C1CCCCC1
InChIInChI=1S/C9H16O2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h7-10H,1-6H2/t8-,9-/m1/s1
InChIKeyJHPCIQWUOSMNLK-RKDXNWHRSA-N
XLogP1.33
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-cyclohexyloxiran-2-yl]methanol?
The IUPAC name of [(2R,3R)-3-cyclohexyloxiran-2-yl]methanol (CID 11228930) is [(2R,3R)-3-cyclohexyloxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3R)-3-cyclohexyloxiran-2-yl]methanol?
The canonical SMILES for [(2R,3R)-3-cyclohexyloxiran-2-yl]methanol is OC[C@H]1O[C@@H]1C1CCCCC1.
What is the InChIKey of [(2R,3R)-3-cyclohexyloxiran-2-yl]methanol?
The InChIKey is JHPCIQWUOSMNLK-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H16O2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h7-10H,1-6H2/t8-,9-/m1/s1.
What are the key properties of [(2R,3R)-3-cyclohexyloxiran-2-yl]methanol?
[(2R,3R)-3-cyclohexyloxiran-2-yl]methanol has a molecular weight of 156.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-cyclohexyloxiran-2-yl]methanol is sourced from PubChem (CID 11228930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).