3-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol

C10H18O3 — CID 88965353

IUPAC3-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol
SMILESOC1CCCC(COCC2CO2)C1
InChIInChI=1S/C10H18O3/c11-9-3-1-2-8(4-9)5-12-6-10-7-13-10/h8-11H,1-7H2
InChIKeyAQOQEEDZXSZGCA-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.95
Rot. Bonds4

About 3-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol

3-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol (PubChem CID 88965353) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol
PubChem CID88965353
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol
SMILESOC1CCCC(COCC2CO2)C1
InChIInChI=1S/C10H18O3/c11-9-3-1-2-8(4-9)5-12-6-10-7-13-10/h8-11H,1-7H2
InChIKeyAQOQEEDZXSZGCA-UHFFFAOYSA-N
XLogP0.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.95
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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Related Compounds

(2R)-2-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxymethyl]oxirane
CID 88922210
4-[(4-hydroxycyclohexyl)methyl]cyclohexan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 22644383
3-(oxiran-2-ylmethoxy)cyclohexan-1-ol
CID 118671193
cyclohexylmethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87835873
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88518341
2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87813388
3-[(3-aminocyclobutyl)oxymethyl]cyclohexan-1-ol
CID 130599462
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
2-[2-[2-(cyclopropylmethoxy)ethoxy]ethoxymethyl]oxirane
CID 89079137
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 173313374

Frequently Asked Questions

What is the IUPAC name of 3-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol?
The IUPAC name of 3-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol (CID 88965353) is 3-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol?
The canonical SMILES for 3-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol is OC1CCCC(COCC2CO2)C1.
What is the InChIKey of 3-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol?
The InChIKey is AQOQEEDZXSZGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c11-9-3-1-2-8(4-9)5-12-6-10-7-13-10/h8-11H,1-7H2.
What are the key properties of 3-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol?
3-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol has a molecular weight of 186.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 88965353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).