2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane

C18H36O9 — CID 15568934

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane
SMILESCOCCOCCOCCOCC1COCCOCCOCCOCCO1
InChIInChI=1S/C18H36O9/c1-19-2-3-20-4-5-22-10-12-25-16-18-17-26-13-11-23-7-6-21-8-9-24-14-15-27-18/h18H,2-17H2,1H3
InChIKeyYBZIOKDCNNTVHR-UHFFFAOYSA-N
MW396.48 g/mol
LogP0.15
Rot. Bonds11

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane (PubChem CID 15568934) has the molecular formula C18H36O9 and a molecular weight of 396.48 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane
PubChem CID15568934
Molecular FormulaC18H36O9
Molecular Weight396.48 g/mol
Exact Mass396.24
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane
SMILESCOCCOCCOCCOCC1COCCOCCOCCOCCO1
InChIInChI=1S/C18H36O9/c1-19-2-3-20-4-5-22-10-12-25-16-18-17-26-13-11-23-7-6-21-8-9-24-14-15-27-18/h18H,2-17H2,1H3
InChIKeyYBZIOKDCNNTVHR-UHFFFAOYSA-N
XLogP0.15
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
2-(ethoxymethyl)-1,4-dioxane
CID 20725722
2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
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-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane
CID 101393644
2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 13070592
39-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,4,7,10,13,16,19,22,25,28,31,34,37,40,44,47,50,53,56,59,62,65,68,71-tetracosaoxacyclotetraheptacontan-42-ol
CID 100966010
1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane
CID 87702464
2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]methyl]oxirane
CID 88898601
N-(1,4-dioxan-2-ylmethyl)-2-(3-methoxypropoxy)ethanamine
CID 103178682
1,4-dioxan-2-ylmethyl methyl carbonate
CID 21305997
12-methyl-12-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane
CID 10022548

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane (CID 15568934) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane is COCCOCCOCCOCC1COCCOCCOCCOCCO1.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane?
The InChIKey is YBZIOKDCNNTVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O9/c1-19-2-3-20-4-5-22-10-12-25-16-18-17-26-13-11-23-7-6-21-8-9-24-14-15-27-18/h18H,2-17H2,1H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane has a molecular weight of 396.48 g/mol, XLogP of 0.15, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane is sourced from PubChem (CID 15568934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).