15-(2-methoxyethoxymethyl)-15-methyl-1,4,7,10,13-pentaoxacyclohexadecane

C16H32O7 — CID 15762554

IUPAC15-(2-methoxyethoxymethyl)-15-methyl-1,4,7,10,13-pentaoxacyclohexadecane
SMILESCOCCOCC1(C)COCCOCCOCCOCCOC1
InChIInChI=1S/C16H32O7/c1-16(13-21-4-3-17-2)14-22-11-9-19-7-5-18-6-8-20-10-12-23-15-16/h3-15H2,1-2H3
InChIKeyNZMAJSJTUPFIIZ-UHFFFAOYSA-N
MW336.43 g/mol
LogP0.75
Rot. Bonds5

About 15-(2-methoxyethoxymethyl)-15-methyl-1,4,7,10,13-pentaoxacyclohexadecane

15-(2-methoxyethoxymethyl)-15-methyl-1,4,7,10,13-pentaoxacyclohexadecane (PubChem CID 15762554) has the molecular formula C16H32O7 and a molecular weight of 336.43 g/mol. Its IUPAC name is 15-(2-methoxyethoxymethyl)-15-methyl-1,4,7,10,13-pentaoxacyclohexadecane.

Molecular Properties

Compound Name15-(2-methoxyethoxymethyl)-15-methyl-1,4,7,10,13-pentaoxacyclohexadecane
PubChem CID15762554
Molecular FormulaC16H32O7
Molecular Weight336.43 g/mol
Exact Mass336.21
IUPAC Name15-(2-methoxyethoxymethyl)-15-methyl-1,4,7,10,13-pentaoxacyclohexadecane
SMILESCOCCOCC1(C)COCCOCCOCCOCCOC1
InChIInChI=1S/C16H32O7/c1-16(13-21-4-3-17-2)14-22-11-9-19-7-5-18-6-8-20-10-12-23-15-16/h3-15H2,1-2H3
InChIKeyNZMAJSJTUPFIIZ-UHFFFAOYSA-N
XLogP0.75
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 15-(2-methoxyethoxymethyl)-15-methyl-1,4,7,10,13-pentaoxacyclohexadecane?
The IUPAC name of 15-(2-methoxyethoxymethyl)-15-methyl-1,4,7,10,13-pentaoxacyclohexadecane (CID 15762554) is 15-(2-methoxyethoxymethyl)-15-methyl-1,4,7,10,13-pentaoxacyclohexadecane.
What is the SMILES notation for 15-(2-methoxyethoxymethyl)-15-methyl-1,4,7,10,13-pentaoxacyclohexadecane?
The canonical SMILES for 15-(2-methoxyethoxymethyl)-15-methyl-1,4,7,10,13-pentaoxacyclohexadecane is COCCOCC1(C)COCCOCCOCCOCCOC1.
What is the InChIKey of 15-(2-methoxyethoxymethyl)-15-methyl-1,4,7,10,13-pentaoxacyclohexadecane?
The InChIKey is NZMAJSJTUPFIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O7/c1-16(13-21-4-3-17-2)14-22-11-9-19-7-5-18-6-8-20-10-12-23-15-16/h3-15H2,1-2H3.
What are the key properties of 15-(2-methoxyethoxymethyl)-15-methyl-1,4,7,10,13-pentaoxacyclohexadecane?
15-(2-methoxyethoxymethyl)-15-methyl-1,4,7,10,13-pentaoxacyclohexadecane has a molecular weight of 336.43 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-methoxyethoxymethyl)-15-methyl-1,4,7,10,13-pentaoxacyclohexadecane is sourced from PubChem (CID 15762554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).