[1-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol

C11H20O3 — CID 22481288

IUPAC[1-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol
SMILESOCC1(COCC2CO2)CCCCC1
InChIInChI=1S/C11H20O3/c12-8-11(4-2-1-3-5-11)9-13-6-10-7-14-10/h10,12H,1-9H2
InChIKeyDZCVLTAQZZDCMH-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.34
Rot. Bonds5

About [1-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol

[1-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol (PubChem CID 22481288) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is [1-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol
PubChem CID22481288
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name[1-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol
SMILESOCC1(COCC2CO2)CCCCC1
InChIInChI=1S/C11H20O3/c12-8-11(4-2-1-3-5-11)9-13-6-10-7-14-10/h10,12H,1-9H2
InChIKeyDZCVLTAQZZDCMH-UHFFFAOYSA-N
XLogP1.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
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 [1-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol?
The IUPAC name of [1-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol (CID 22481288) is [1-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol?
The canonical SMILES for [1-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol is OCC1(COCC2CO2)CCCCC1.
What is the InChIKey of [1-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol?
The InChIKey is DZCVLTAQZZDCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c12-8-11(4-2-1-3-5-11)9-13-6-10-7-14-10/h10,12H,1-9H2.
What are the key properties of [1-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol?
[1-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol has a molecular weight of 200.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol is sourced from PubChem (CID 22481288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).