1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane

C16H34O8 — CID 87702464

IUPAC1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESC1COCCOCCOCCOCCOCCO1.COCCOC
InChIInChI=1S/C12H24O6.C4H10O2/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;1-5-3-4-6-2/h1-12H2;3-4H2,1-2H3
InChIKeyCAQBFDABEJJTLC-UHFFFAOYSA-N
MW354.44 g/mol
LogP0.38
Rot. Bonds3

About 1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane

1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane (PubChem CID 87702464) has the molecular formula C16H34O8 and a molecular weight of 354.44 g/mol. Its IUPAC name is 1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane.

Molecular Properties

Compound Name1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane
PubChem CID87702464
Molecular FormulaC16H34O8
Molecular Weight354.44 g/mol
Exact Mass354.23
IUPAC Name1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESC1COCCOCCOCCOCCOCCO1.COCCOC
InChIInChI=1S/C12H24O6.C4H10O2/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;1-5-3-4-6-2/h1-12H2;3-4H2,1-2H3
InChIKeyCAQBFDABEJJTLC-UHFFFAOYSA-N
XLogP0.38
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

12-(2-methoxyethoxy)-12-methyl-1,4,7,10-tetraoxacyclotridecane
CID 15721735
CID 139177261
CID 139177261
13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
CID 14910697
1,2-dimethoxyethane;ethane
CID 91349162
1,2-dimethoxyethane;samarium
CID 174304250
1,4-dioxane;stannane
CID 174822243
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane
CID 15568934
1-methoxypentane;oxolane
CID 160798368
4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholin-4-ium
CID 140879614
2-(2-methoxyethoxymethyl)-2-methyl-1,4,7,10-tetraoxacyclododecane
CID 102268049
4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium
CID 102434092

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane?
The IUPAC name of 1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane (CID 87702464) is 1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane.
What is the SMILES notation for 1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane?
The canonical SMILES for 1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane is C1COCCOCCOCCOCCOCCO1.COCCOC.
What is the InChIKey of 1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane?
The InChIKey is CAQBFDABEJJTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6.C4H10O2/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;1-5-3-4-6-2/h1-12H2;3-4H2,1-2H3.
What are the key properties of 1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane?
1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane has a molecular weight of 354.44 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane is sourced from PubChem (CID 87702464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).