2-(2-chloroethoxy)ethyl N-methylcarbamate

C6H12ClNO3 — CID 103970595

IUPAC2-(2-chloroethoxy)ethyl N-methylcarbamate
SMILESCNC(=O)OCCOCCCl
InChIInChI=1S/C6H12ClNO3/c1-8-6(9)11-5-4-10-3-2-7/h2-5H2,1H3,(H,8,9)
InChIKeyUGYMLLMZVSAAJY-UHFFFAOYSA-N
MW181.62 g/mol
LogP0.60
Rot. Bonds5

About 2-(2-chloroethoxy)ethyl N-methylcarbamate

2-(2-chloroethoxy)ethyl N-methylcarbamate (PubChem CID 103970595) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is 2-(2-chloroethoxy)ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-(2-chloroethoxy)ethyl N-methylcarbamate
PubChem CID103970595
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Name2-(2-chloroethoxy)ethyl N-methylcarbamate
SMILESCNC(=O)OCCOCCCl
InChIInChI=1S/C6H12ClNO3/c1-8-6(9)11-5-4-10-3-2-7/h2-5H2,1H3,(H,8,9)
InChIKeyUGYMLLMZVSAAJY-UHFFFAOYSA-N
XLogP0.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate
CID 158533955
2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methylcarbamate
CID 142392004
2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate
CID 87799923
2-(2-chloroethoxy)ethyl methyl carbonate
CID 103970602
2-[2-(ethylamino)ethoxy]ethyl N-methylcarbamate
CID 87801035
3-[2-(2-methoxyethoxy)ethoxy]propyl N-methylcarbamate
CID 177295921
2-(2-chloroethoxy)ethyl propanoate
CID 5092973
5-(methylcarbamoyloxy)pentyl N-methylcarbamate
CID 59800394
2-chloroethyl N-(methylamino)carbamate
CID 55302398
1-[2-(2-chloroethoxy)ethyl]-3-methylurea
CID 157271726
ethane;propyl N-methylcarbamate
CID 142560404
1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 13072765

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)ethyl N-methylcarbamate?
The IUPAC name of 2-(2-chloroethoxy)ethyl N-methylcarbamate (CID 103970595) is 2-(2-chloroethoxy)ethyl N-methylcarbamate.
What is the SMILES notation for 2-(2-chloroethoxy)ethyl N-methylcarbamate?
The canonical SMILES for 2-(2-chloroethoxy)ethyl N-methylcarbamate is CNC(=O)OCCOCCCl.
What is the InChIKey of 2-(2-chloroethoxy)ethyl N-methylcarbamate?
The InChIKey is UGYMLLMZVSAAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO3/c1-8-6(9)11-5-4-10-3-2-7/h2-5H2,1H3,(H,8,9).
What are the key properties of 2-(2-chloroethoxy)ethyl N-methylcarbamate?
2-(2-chloroethoxy)ethyl N-methylcarbamate has a molecular weight of 181.62 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)ethyl N-methylcarbamate is sourced from PubChem (CID 103970595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).