3,3-bis[2-(2-ethoxyethoxy)ethoxymethyl]-6-oxabicyclo[3.1.0]hexane

C19H36O7 — CID 58835826

IUPAC3,3-bis[2-(2-ethoxyethoxy)ethoxymethyl]-6-oxabicyclo[3.1.0]hexane
SMILESCCOCCOCCOCC1(COCCOCCOCC)CC2OC2C1
InChIInChI=1S/C19H36O7/c1-3-20-5-7-22-9-11-24-15-19(13-17-18(14-19)26-17)16-25-12-10-23-8-6-21-4-2/h17-18H,3-16H2,1-2H3
InChIKeyWWKSYPKRPWIROA-UHFFFAOYSA-N
MW376.49 g/mol
LogP1.67
Rot. Bonds18

About 3,3-bis[2-(2-ethoxyethoxy)ethoxymethyl]-6-oxabicyclo[3.1.0]hexane

3,3-bis[2-(2-ethoxyethoxy)ethoxymethyl]-6-oxabicyclo[3.1.0]hexane (PubChem CID 58835826) has the molecular formula C19H36O7 and a molecular weight of 376.49 g/mol. Its IUPAC name is 3,3-bis[2-(2-ethoxyethoxy)ethoxymethyl]-6-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3,3-bis[2-(2-ethoxyethoxy)ethoxymethyl]-6-oxabicyclo[3.1.0]hexane
PubChem CID58835826
Molecular FormulaC19H36O7
Molecular Weight376.49 g/mol
Exact Mass376.25
IUPAC Name3,3-bis[2-(2-ethoxyethoxy)ethoxymethyl]-6-oxabicyclo[3.1.0]hexane
SMILESCCOCCOCCOCC1(COCCOCCOCC)CC2OC2C1
InChIInChI=1S/C19H36O7/c1-3-20-5-7-22-9-11-24-15-19(13-17-18(14-19)26-17)16-25-12-10-23-8-6-21-4-2/h17-18H,3-16H2,1-2H3
InChIKeyWWKSYPKRPWIROA-UHFFFAOYSA-N
XLogP1.67
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 146049054
1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane
CID 65001789
1,2-diethoxyethane;oxirane
CID 159897663
1,2-diethoxyethane;hydrofluoride
CID 175535770
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
[1-(2-methoxyethoxymethyl)-3-methylcyclobutyl]methanamine
CID 119055116
3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane
CID 58090262
1,2-diethoxyethane;ethene
CID 158825770
sodium;1,2-diethoxyethane;hydride
CID 174903036
1-(2-ethoxyethyl)-2-ethylcyclopropan-1-ol
CID 79332341
(3S,3aS,6R,6aS)-3,6-bis(2-ethoxyethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 102237665
1,2-dimethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane
CID 159445382

Frequently Asked Questions

What is the IUPAC name of 3,3-bis[2-(2-ethoxyethoxy)ethoxymethyl]-6-oxabicyclo[3.1.0]hexane?
The IUPAC name of 3,3-bis[2-(2-ethoxyethoxy)ethoxymethyl]-6-oxabicyclo[3.1.0]hexane (CID 58835826) is 3,3-bis[2-(2-ethoxyethoxy)ethoxymethyl]-6-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 3,3-bis[2-(2-ethoxyethoxy)ethoxymethyl]-6-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 3,3-bis[2-(2-ethoxyethoxy)ethoxymethyl]-6-oxabicyclo[3.1.0]hexane is CCOCCOCCOCC1(COCCOCCOCC)CC2OC2C1.
What is the InChIKey of 3,3-bis[2-(2-ethoxyethoxy)ethoxymethyl]-6-oxabicyclo[3.1.0]hexane?
The InChIKey is WWKSYPKRPWIROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O7/c1-3-20-5-7-22-9-11-24-15-19(13-17-18(14-19)26-17)16-25-12-10-23-8-6-21-4-2/h17-18H,3-16H2,1-2H3.
What are the key properties of 3,3-bis[2-(2-ethoxyethoxy)ethoxymethyl]-6-oxabicyclo[3.1.0]hexane?
3,3-bis[2-(2-ethoxyethoxy)ethoxymethyl]-6-oxabicyclo[3.1.0]hexane has a molecular weight of 376.49 g/mol, XLogP of 1.67, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis[2-(2-ethoxyethoxy)ethoxymethyl]-6-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 58835826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).