3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propoxy]propoxy]propoxy]propan-1-ol

C56H98O16 — CID 59235976

IUPAC3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propoxy]propoxy]propoxy]propan-1-ol
SMILESOCC(COCC1CCC(COCC2CO2)CC1)OCC(COCC1CCC(COCC2CO2)CC1)OCC(COCC1CCC(COCC2CO2)CC1)OCCCOCC1CCC(COCC2CO2)CC1
InChIInChI=1S/C56H98O16/c57-20-50(29-59-22-43-6-8-46(9-7-43)26-63-33-54-39-70-54)67-37-52(31-61-25-47-14-16-49(17-15-47)28-65-35-56-41-72-56)68-36-51(30-60-23-45-10-12-48(13-11-45)27-64-34-55-40-71-55)66-19-1-18-58-21-42-2-4-44(5-3-42)24-62-32-53-38-69-53/h42-57H,1-41H2
InChIKeyBLUKGJMLNZHZIH-UHFFFAOYSA-N
MW1027.38 g/mol
LogP6.48
Rot. Bonds42

About 3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propoxy]propoxy]propoxy]propan-1-ol

3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propoxy]propoxy]propoxy]propan-1-ol (PubChem CID 59235976) has the molecular formula C56H98O16 and a molecular weight of 1027.38 g/mol. Its IUPAC name is 3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propoxy]propoxy]propoxy]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propoxy]propoxy]propoxy]propan-1-ol
PubChem CID59235976
Molecular FormulaC56H98O16
Molecular Weight1027.38 g/mol
Exact Mass1026.69
IUPAC Name3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propoxy]propoxy]propoxy]propan-1-ol
SMILESOCC(COCC1CCC(COCC2CO2)CC1)OCC(COCC1CCC(COCC2CO2)CC1)OCC(COCC1CCC(COCC2CO2)CC1)OCCCOCC1CCC(COCC2CO2)CC1
InChIInChI=1S/C56H98O16/c57-20-50(29-59-22-43-6-8-46(9-7-43)26-63-33-54-39-70-54)67-37-52(31-61-25-47-14-16-49(17-15-47)28-65-35-56-41-72-56)68-36-51(30-60-23-45-10-12-48(13-11-45)27-64-34-55-40-71-55)66-19-1-18-58-21-42-2-4-44(5-3-42)24-62-32-53-38-69-53/h42-57H,1-41H2
InChIKeyBLUKGJMLNZHZIH-UHFFFAOYSA-N
XLogP6.48
TPSA171.88 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds42
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001027.38
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propoxy]propoxy]propoxy]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propoxy]propoxy]propoxy]propan-1-ol?
The IUPAC name of 3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propoxy]propoxy]propoxy]propan-1-ol (CID 59235976) is 3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propoxy]propoxy]propoxy]propan-1-ol.
What is the SMILES notation for 3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propoxy]propoxy]propoxy]propan-1-ol?
The canonical SMILES for 3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propoxy]propoxy]propoxy]propan-1-ol is OCC(COCC1CCC(COCC2CO2)CC1)OCC(COCC1CCC(COCC2CO2)CC1)OCC(COCC1CCC(COCC2CO2)CC1)OCCCOCC1CCC(COCC2CO2)CC1.
What is the InChIKey of 3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propoxy]propoxy]propoxy]propan-1-ol?
The InChIKey is BLUKGJMLNZHZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H98O16/c57-20-50(29-59-22-43-6-8-46(9-7-43)26-63-33-54-39-70-54)67-37-52(31-61-25-47-14-16-49(17-15-47)28-65-35-56-41-72-56)68-36-51(30-60-23-45-10-12-48(13-11-45)27-64-34-55-40-71-55)66-19-1-18-58-21-42-2-4-44(5-3-42)24-62-32-53-38-69-53/h42-57H,1-41H2.
What are the key properties of 3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propoxy]propoxy]propoxy]propan-1-ol?
3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propoxy]propoxy]propoxy]propan-1-ol has a molecular weight of 1027.38 g/mol, XLogP of 6.48, 42 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]-2-[3-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxy]propoxy]propoxy]propoxy]propan-1-ol is sourced from PubChem (CID 59235976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).