cyclohexane;ethanol;1-ethoxy-3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propan-2-ol

C24H48O6 — CID 157330429

IUPACcyclohexane;ethanol;1-ethoxy-3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propan-2-ol
SMILESC1CCCCC1.CCO.CCOCC(O)COCC1CCC(COCC2CO2)CC1
InChIInChI=1S/C16H30O5.C6H12.C2H6O/c1-2-18-9-15(17)10-19-7-13-3-5-14(6-4-13)8-20-11-16-12-21-16;1-2-4-6-5-3-1;1-2-3/h13-17H,2-12H2,1H3;1-6H2;3H,2H2,1H3
InChIKeyBFFJTYXYXCTZJF-UHFFFAOYSA-N
MW432.64 g/mol
LogP3.96
Rot. Bonds11

About cyclohexane;ethanol;1-ethoxy-3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propan-2-ol

cyclohexane;ethanol;1-ethoxy-3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propan-2-ol (PubChem CID 157330429) has the molecular formula C24H48O6 and a molecular weight of 432.64 g/mol. Its IUPAC name is cyclohexane;ethanol;1-ethoxy-3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propan-2-ol.

Molecular Properties

Compound Namecyclohexane;ethanol;1-ethoxy-3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propan-2-ol
PubChem CID157330429
Molecular FormulaC24H48O6
Molecular Weight432.64 g/mol
Exact Mass432.35
IUPAC Namecyclohexane;ethanol;1-ethoxy-3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propan-2-ol
SMILESC1CCCCC1.CCO.CCOCC(O)COCC1CCC(COCC2CO2)CC1
InChIInChI=1S/C16H30O5.C6H12.C2H6O/c1-2-18-9-15(17)10-19-7-13-3-5-14(6-4-13)8-20-11-16-12-21-16;1-2-4-6-5-3-1;1-2-3/h13-17H,2-12H2,1H3;1-6H2;3H,2H2,1H3
InChIKeyBFFJTYXYXCTZJF-UHFFFAOYSA-N
XLogP3.96
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.64
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze cyclohexane;ethanol;1-ethoxy-3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexane;ethanol;1-ethoxy-3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propan-2-ol?
The IUPAC name of cyclohexane;ethanol;1-ethoxy-3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propan-2-ol (CID 157330429) is cyclohexane;ethanol;1-ethoxy-3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propan-2-ol.
What is the SMILES notation for cyclohexane;ethanol;1-ethoxy-3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propan-2-ol?
The canonical SMILES for cyclohexane;ethanol;1-ethoxy-3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propan-2-ol is C1CCCCC1.CCO.CCOCC(O)COCC1CCC(COCC2CO2)CC1.
What is the InChIKey of cyclohexane;ethanol;1-ethoxy-3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propan-2-ol?
The InChIKey is BFFJTYXYXCTZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5.C6H12.C2H6O/c1-2-18-9-15(17)10-19-7-13-3-5-14(6-4-13)8-20-11-16-12-21-16;1-2-4-6-5-3-1;1-2-3/h13-17H,2-12H2,1H3;1-6H2;3H,2H2,1H3.
What are the key properties of cyclohexane;ethanol;1-ethoxy-3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propan-2-ol?
cyclohexane;ethanol;1-ethoxy-3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propan-2-ol has a molecular weight of 432.64 g/mol, XLogP of 3.96, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;ethanol;1-ethoxy-3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propan-2-ol is sourced from PubChem (CID 157330429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).