1-ethoxy-2-[2-(isocyanatomethoxy)ethoxy]ethane

C8H15NO4 — CID 102218481

IUPAC1-ethoxy-2-[2-(isocyanatomethoxy)ethoxy]ethane
SMILESCCOCCOCCOCN=C=O
InChIInChI=1S/C8H15NO4/c1-2-11-3-4-12-5-6-13-8-9-7-10/h2-6,8H2,1H3
InChIKeyWNNURORNOBUVRQ-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.35
Rot. Bonds9

About 1-ethoxy-2-[2-(isocyanatomethoxy)ethoxy]ethane

1-ethoxy-2-[2-(isocyanatomethoxy)ethoxy]ethane (PubChem CID 102218481) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-ethoxy-2-[2-(isocyanatomethoxy)ethoxy]ethane.

Molecular Properties

Compound Name1-ethoxy-2-[2-(isocyanatomethoxy)ethoxy]ethane
PubChem CID102218481
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name1-ethoxy-2-[2-(isocyanatomethoxy)ethoxy]ethane
SMILESCCOCCOCCOCN=C=O
InChIInChI=1S/C8H15NO4/c1-2-11-3-4-12-5-6-13-8-9-7-10/h2-6,8H2,1H3
InChIKeyWNNURORNOBUVRQ-UHFFFAOYSA-N
XLogP0.35
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

CID 101447150
CID 101447150
1,2-diethoxyethane;hydrofluoride
CID 175535770
isocyanatomethyl propyl hydrogen phosphate
CID 87128177
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
1,2-diethoxyethane;ethene
CID 158825770
sodium;1,2-diethoxyethane;hydride
CID 174903036
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methoxyethane
CID 19982973
1,2-dimethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane
CID 159445382
1-isocyanato-7-propoxyheptane
CID 155127883
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
tris[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]phosphane
CID 141418245

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[2-(isocyanatomethoxy)ethoxy]ethane?
The IUPAC name of 1-ethoxy-2-[2-(isocyanatomethoxy)ethoxy]ethane (CID 102218481) is 1-ethoxy-2-[2-(isocyanatomethoxy)ethoxy]ethane.
What is the SMILES notation for 1-ethoxy-2-[2-(isocyanatomethoxy)ethoxy]ethane?
The canonical SMILES for 1-ethoxy-2-[2-(isocyanatomethoxy)ethoxy]ethane is CCOCCOCCOCN=C=O.
What is the InChIKey of 1-ethoxy-2-[2-(isocyanatomethoxy)ethoxy]ethane?
The InChIKey is WNNURORNOBUVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-2-11-3-4-12-5-6-13-8-9-7-10/h2-6,8H2,1H3.
What are the key properties of 1-ethoxy-2-[2-(isocyanatomethoxy)ethoxy]ethane?
1-ethoxy-2-[2-(isocyanatomethoxy)ethoxy]ethane has a molecular weight of 189.21 g/mol, XLogP of 0.35, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[2-(isocyanatomethoxy)ethoxy]ethane is sourced from PubChem (CID 102218481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).