2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl carbamate

C11H22BrNO6 — CID 170160421

IUPAC2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl carbamate
SMILESNC(=O)OCCOCCOCCOCCOCCBr
InChIInChI=1S/C11H22BrNO6/c12-1-2-15-3-4-16-5-6-17-7-8-18-9-10-19-11(13)14/h1-10H2,(H2,13,14)
InChIKeyAJMCBENYSQRJBJ-UHFFFAOYSA-N
MW344.20 g/mol
LogP0.54
Rot. Bonds14

About 2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl carbamate

2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl carbamate (PubChem CID 170160421) has the molecular formula C11H22BrNO6 and a molecular weight of 344.20 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl carbamate.

Molecular Properties

Compound Name2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl carbamate
PubChem CID170160421
Molecular FormulaC11H22BrNO6
Molecular Weight344.20 g/mol
Exact Mass343.06
IUPAC Name2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl carbamate
SMILESNC(=O)OCCOCCOCCOCCOCCBr
InChIInChI=1S/C11H22BrNO6/c12-1-2-15-3-4-16-5-6-17-7-8-18-9-10-19-11(13)14/h1-10H2,(H2,13,14)
InChIKeyAJMCBENYSQRJBJ-UHFFFAOYSA-N
XLogP0.54
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-bromoethoxy)ethoxy]ethoxy]acetamide
CID 154729285
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl carbamate
CID 118597467
2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate
CID 177163981
2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbamate
CID 175090580
2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 126843434
2-[2-(2-oxoethoxy)ethoxy]ethyl carbamate
CID 89498501
1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 158591321
6-bromohexyl carbamate
CID 174934401
ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 22471885
2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 139925917
1-(2-bromoethoxy)-2-[2-(2-bromoethoxy)ethoxy]ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159080030
2-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 175962657

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl carbamate?
The IUPAC name of 2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl carbamate (CID 170160421) is 2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl carbamate.
What is the SMILES notation for 2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl carbamate?
The canonical SMILES for 2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl carbamate is NC(=O)OCCOCCOCCOCCOCCBr.
What is the InChIKey of 2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl carbamate?
The InChIKey is AJMCBENYSQRJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO6/c12-1-2-15-3-4-16-5-6-17-7-8-18-9-10-19-11(13)14/h1-10H2,(H2,13,14).
What are the key properties of 2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl carbamate?
2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl carbamate has a molecular weight of 344.20 g/mol, XLogP of 0.54, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl carbamate is sourced from PubChem (CID 170160421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).