3-(2-methoxyethoxymethyl)-16-methyl-1,4,7,10,13-pentaoxacyclohexadecane

C16H32O7 — CID 91034449

IUPAC3-(2-methoxyethoxymethyl)-16-methyl-1,4,7,10,13-pentaoxacyclohexadecane
SMILESCOCCOCC1COC(C)CCOCCOCCOCCO1
InChIInChI=1S/C16H32O7/c1-15-3-4-18-7-8-19-9-10-20-11-12-22-16(14-23-15)13-21-6-5-17-2/h15-16H,3-14H2,1-2H3
InChIKeyYNVFXEBLTOTQRU-UHFFFAOYSA-N
MW336.43 g/mol
LogP0.89
Rot. Bonds5

About 3-(2-methoxyethoxymethyl)-16-methyl-1,4,7,10,13-pentaoxacyclohexadecane

3-(2-methoxyethoxymethyl)-16-methyl-1,4,7,10,13-pentaoxacyclohexadecane (PubChem CID 91034449) has the molecular formula C16H32O7 and a molecular weight of 336.43 g/mol. Its IUPAC name is 3-(2-methoxyethoxymethyl)-16-methyl-1,4,7,10,13-pentaoxacyclohexadecane.

Molecular Properties

Compound Name3-(2-methoxyethoxymethyl)-16-methyl-1,4,7,10,13-pentaoxacyclohexadecane
PubChem CID91034449
Molecular FormulaC16H32O7
Molecular Weight336.43 g/mol
Exact Mass336.21
IUPAC Name3-(2-methoxyethoxymethyl)-16-methyl-1,4,7,10,13-pentaoxacyclohexadecane
SMILESCOCCOCC1COC(C)CCOCCOCCOCCO1
InChIInChI=1S/C16H32O7/c1-15-3-4-18-7-8-19-9-10-20-11-12-22-16(14-23-15)13-21-6-5-17-2/h15-16H,3-14H2,1-2H3
InChIKeyYNVFXEBLTOTQRU-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
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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Related Compounds

5,8,11,14,17-Pentaoxaheneicosane
CID 61036
5,8,11,14,17,20-Hexaoxatetracosane
CID 4162575
7-Methyl-2,6,9,12-tetraoxahexadecane
CID 24838540
3,6,9-Trimethyl-2,5,8,11-tetraoxadodecane
CID 15930777
1,2,3-Propanetriol, 1,3-bis(3-pentyl)-2-propyl triether
CID 116180
18-Methyl-2,5,8,11,14,17-hexaoxanonadecane
CID 6454511
2,13-Dimethyl-3,6,9,12-tetraoxatetradecane
CID 15153196
1,2,3-Tris(2-methoxyethoxy)propane
CID 22886703
1,2,3-Triethoxypropane
CID 548321
21-Methyl-2,5,8,11,14,17,20-heptaoxadocosane
CID 113571
1,2,3,4-Tetramethoxybutane
CID 542388
2,5,8,11,14,17,20-Heptaoxatetracosane
CID 85529639

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxymethyl)-16-methyl-1,4,7,10,13-pentaoxacyclohexadecane?
The IUPAC name of 3-(2-methoxyethoxymethyl)-16-methyl-1,4,7,10,13-pentaoxacyclohexadecane (CID 91034449) is 3-(2-methoxyethoxymethyl)-16-methyl-1,4,7,10,13-pentaoxacyclohexadecane.
What is the SMILES notation for 3-(2-methoxyethoxymethyl)-16-methyl-1,4,7,10,13-pentaoxacyclohexadecane?
The canonical SMILES for 3-(2-methoxyethoxymethyl)-16-methyl-1,4,7,10,13-pentaoxacyclohexadecane is COCCOCC1COC(C)CCOCCOCCOCCO1.
What is the InChIKey of 3-(2-methoxyethoxymethyl)-16-methyl-1,4,7,10,13-pentaoxacyclohexadecane?
The InChIKey is YNVFXEBLTOTQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O7/c1-15-3-4-18-7-8-19-9-10-20-11-12-22-16(14-23-15)13-21-6-5-17-2/h15-16H,3-14H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxymethyl)-16-methyl-1,4,7,10,13-pentaoxacyclohexadecane?
3-(2-methoxyethoxymethyl)-16-methyl-1,4,7,10,13-pentaoxacyclohexadecane has a molecular weight of 336.43 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxymethyl)-16-methyl-1,4,7,10,13-pentaoxacyclohexadecane is sourced from PubChem (CID 91034449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).