1-(1-ethoxyethoxy)ethyl carbamate

C7H15NO4 — CID 175609517

IUPAC1-(1-ethoxyethoxy)ethyl carbamate
SMILESCCOC(C)OC(C)OC(N)=O
InChIInChI=1S/C7H15NO4/c1-4-10-5(2)11-6(3)12-7(8)9/h5-6H,4H2,1-3H3,(H2,8,9)
InChIKeyJDSHZSDZPSPZIA-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.83
Rot. Bonds5

About 1-(1-ethoxyethoxy)ethyl carbamate

1-(1-ethoxyethoxy)ethyl carbamate (PubChem CID 175609517) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-(1-ethoxyethoxy)ethyl carbamate.

Molecular Properties

Compound Name1-(1-ethoxyethoxy)ethyl carbamate
PubChem CID175609517
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name1-(1-ethoxyethoxy)ethyl carbamate
SMILESCCOC(C)OC(C)OC(N)=O
InChIInChI=1S/C7H15NO4/c1-4-10-5(2)11-6(3)12-7(8)9/h5-6H,4H2,1-3H3,(H2,8,9)
InChIKeyJDSHZSDZPSPZIA-UHFFFAOYSA-N
XLogP0.83
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-2-enoic acid
CID 175565416
1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 174987831
1-(2-methylpropoxy)ethyl carbamate
CID 21498365
carbonic acid;1,1-diethoxyethane
CID 87827362
1-ethoxyethyl 2,2-bis(sulfanyl)acetate
CID 22183059
azane;propan-2-yl carbamate
CID 172769477
1-(1-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate
CID 87974815
bis[1-(1-ethoxyethoxy)ethyl] benzene-1,3-dicarboxylate
CID 121376026
1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate
CID 175094889
1,1-diethoxyethane
CID 7765
ethyl 4-chloro-3-(1-ethoxyethoxy)butanoate
CID 138654225
dimethyl (2R)-2-[(1S)-1-ethoxyethoxy]butanedioate
CID 129407052

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethoxy)ethyl carbamate?
The IUPAC name of 1-(1-ethoxyethoxy)ethyl carbamate (CID 175609517) is 1-(1-ethoxyethoxy)ethyl carbamate.
What is the SMILES notation for 1-(1-ethoxyethoxy)ethyl carbamate?
The canonical SMILES for 1-(1-ethoxyethoxy)ethyl carbamate is CCOC(C)OC(C)OC(N)=O.
What is the InChIKey of 1-(1-ethoxyethoxy)ethyl carbamate?
The InChIKey is JDSHZSDZPSPZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-4-10-5(2)11-6(3)12-7(8)9/h5-6H,4H2,1-3H3,(H2,8,9).
What are the key properties of 1-(1-ethoxyethoxy)ethyl carbamate?
1-(1-ethoxyethoxy)ethyl carbamate has a molecular weight of 177.20 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethoxy)ethyl carbamate is sourced from PubChem (CID 175609517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).