2-(2-ethoxy-2-methoxyethoxy)ethyl carbamate

C8H17NO5 — CID 87134994

IUPAC2-(2-ethoxy-2-methoxyethoxy)ethyl carbamate
SMILESCCOC(COCCOC(N)=O)OC
InChIInChI=1S/C8H17NO5/c1-3-13-7(11-2)6-12-4-5-14-8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyFDBPOPWVSOXXEL-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.11
Rot. Bonds8

About 2-(2-ethoxy-2-methoxyethoxy)ethyl carbamate

2-(2-ethoxy-2-methoxyethoxy)ethyl carbamate (PubChem CID 87134994) has the molecular formula C8H17NO5 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(2-ethoxy-2-methoxyethoxy)ethyl carbamate.

Molecular Properties

Compound Name2-(2-ethoxy-2-methoxyethoxy)ethyl carbamate
PubChem CID87134994
Molecular FormulaC8H17NO5
Molecular Weight207.23 g/mol
Exact Mass207.11
IUPAC Name2-(2-ethoxy-2-methoxyethoxy)ethyl carbamate
SMILESCCOC(COCCOC(N)=O)OC
InChIInChI=1S/C8H17NO5/c1-3-13-7(11-2)6-12-4-5-14-8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyFDBPOPWVSOXXEL-UHFFFAOYSA-N
XLogP0.11
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2-methoxyethoxy)ethyl carbamate?
The IUPAC name of 2-(2-ethoxy-2-methoxyethoxy)ethyl carbamate (CID 87134994) is 2-(2-ethoxy-2-methoxyethoxy)ethyl carbamate.
What is the SMILES notation for 2-(2-ethoxy-2-methoxyethoxy)ethyl carbamate?
The canonical SMILES for 2-(2-ethoxy-2-methoxyethoxy)ethyl carbamate is CCOC(COCCOC(N)=O)OC.
What is the InChIKey of 2-(2-ethoxy-2-methoxyethoxy)ethyl carbamate?
The InChIKey is FDBPOPWVSOXXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5/c1-3-13-7(11-2)6-12-4-5-14-8(9)10/h7H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of 2-(2-ethoxy-2-methoxyethoxy)ethyl carbamate?
2-(2-ethoxy-2-methoxyethoxy)ethyl carbamate has a molecular weight of 207.23 g/mol, XLogP of 0.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-methoxyethoxy)ethyl carbamate is sourced from PubChem (CID 87134994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).