12-methyl-12-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane

C18H34O8 — CID 10022548

IUPAC12-methyl-12-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane
SMILESCC1(COCCOCCOCC2CO2)COCCOCCOCCOC1
InChIInChI=1S/C18H34O8/c1-18(14-23-9-5-19-2-3-20-6-10-24-15-18)16-25-11-7-21-4-8-22-12-17-13-26-17/h17H,2-16H2,1H3
InChIKeyPREHRURXGABQLI-UHFFFAOYSA-N
MW378.46 g/mol
LogP0.52
Rot. Bonds10

About 12-methyl-12-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane

12-methyl-12-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane (PubChem CID 10022548) has the molecular formula C18H34O8 and a molecular weight of 378.46 g/mol. Its IUPAC name is 12-methyl-12-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane.

Molecular Properties

Compound Name12-methyl-12-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane
PubChem CID10022548
Molecular FormulaC18H34O8
Molecular Weight378.46 g/mol
Exact Mass378.23
IUPAC Name12-methyl-12-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane
SMILESCC1(COCCOCCOCC2CO2)COCCOCCOCCOC1
InChIInChI=1S/C18H34O8/c1-18(14-23-9-5-19-2-3-20-6-10-24-15-18)16-25-11-7-21-4-8-22-12-17-13-26-17/h17H,2-16H2,1H3
InChIKeyPREHRURXGABQLI-UHFFFAOYSA-N
XLogP0.52
TPSA77.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane
CID 15568934
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446
2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane
CID 101393644
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154070356
2-[2-[2-(cyclopropylmethoxy)ethoxy]ethoxymethyl]oxirane
CID 89079137
2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanethiol
CID 156674386
2-(propoxymethyl)oxirane
CID 18406
2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
CID 86199119

Frequently Asked Questions

What is the IUPAC name of 12-methyl-12-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane?
The IUPAC name of 12-methyl-12-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane (CID 10022548) is 12-methyl-12-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane.
What is the SMILES notation for 12-methyl-12-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane?
The canonical SMILES for 12-methyl-12-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane is CC1(COCCOCCOCC2CO2)COCCOCCOCCOC1.
What is the InChIKey of 12-methyl-12-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane?
The InChIKey is PREHRURXGABQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O8/c1-18(14-23-9-5-19-2-3-20-6-10-24-15-18)16-25-11-7-21-4-8-22-12-17-13-26-17/h17H,2-16H2,1H3.
What are the key properties of 12-methyl-12-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane?
12-methyl-12-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane has a molecular weight of 378.46 g/mol, XLogP of 0.52, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-12-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane is sourced from PubChem (CID 10022548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).