[3-cyclohexyl-2-(hydroxymethyl)oxiran-2-yl]methanol

C10H18O3 — CID 57275715

IUPAC[3-cyclohexyl-2-(hydroxymethyl)oxiran-2-yl]methanol
SMILESOCC1(CO)OC1C1CCCCC1
InChIInChI=1S/C10H18O3/c11-6-10(7-12)9(13-10)8-4-2-1-3-5-8/h8-9,11-12H,1-7H2
InChIKeyVLULFYYLXLYXCL-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.69
Rot. Bonds3

About [3-cyclohexyl-2-(hydroxymethyl)oxiran-2-yl]methanol

[3-cyclohexyl-2-(hydroxymethyl)oxiran-2-yl]methanol (PubChem CID 57275715) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is [3-cyclohexyl-2-(hydroxymethyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[3-cyclohexyl-2-(hydroxymethyl)oxiran-2-yl]methanol
PubChem CID57275715
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name[3-cyclohexyl-2-(hydroxymethyl)oxiran-2-yl]methanol
SMILESOCC1(CO)OC1C1CCCCC1
InChIInChI=1S/C10H18O3/c11-6-10(7-12)9(13-10)8-4-2-1-3-5-8/h8-9,11-12H,1-7H2
InChIKeyVLULFYYLXLYXCL-UHFFFAOYSA-N
XLogP0.69
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [3-cyclohexyl-2-(hydroxymethyl)oxiran-2-yl]methanol?
The IUPAC name of [3-cyclohexyl-2-(hydroxymethyl)oxiran-2-yl]methanol (CID 57275715) is [3-cyclohexyl-2-(hydroxymethyl)oxiran-2-yl]methanol.
What is the SMILES notation for [3-cyclohexyl-2-(hydroxymethyl)oxiran-2-yl]methanol?
The canonical SMILES for [3-cyclohexyl-2-(hydroxymethyl)oxiran-2-yl]methanol is OCC1(CO)OC1C1CCCCC1.
What is the InChIKey of [3-cyclohexyl-2-(hydroxymethyl)oxiran-2-yl]methanol?
The InChIKey is VLULFYYLXLYXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c11-6-10(7-12)9(13-10)8-4-2-1-3-5-8/h8-9,11-12H,1-7H2.
What are the key properties of [3-cyclohexyl-2-(hydroxymethyl)oxiran-2-yl]methanol?
[3-cyclohexyl-2-(hydroxymethyl)oxiran-2-yl]methanol has a molecular weight of 186.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclohexyl-2-(hydroxymethyl)oxiran-2-yl]methanol is sourced from PubChem (CID 57275715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).