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

C7H13NO5 — CID 89498501

IUPAC2-[2-(2-oxoethoxy)ethoxy]ethyl carbamate
SMILESNC(=O)OCCOCCOCC=O
InChIInChI=1S/C7H13NO5/c8-7(10)13-6-5-12-4-3-11-2-1-9/h1H,2-6H2,(H2,8,10)
InChIKeyHZLTVZNHMPOQKD-UHFFFAOYSA-N
MW191.18 g/mol
LogP-0.69
Rot. Bonds8

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

2-[2-(2-oxoethoxy)ethoxy]ethyl carbamate (PubChem CID 89498501) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is 2-[2-(2-oxoethoxy)ethoxy]ethyl carbamate.

Molecular Properties

Compound Name2-[2-(2-oxoethoxy)ethoxy]ethyl carbamate
PubChem CID89498501
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name2-[2-(2-oxoethoxy)ethoxy]ethyl carbamate
SMILESNC(=O)OCCOCCOCC=O
InChIInChI=1S/C7H13NO5/c8-7(10)13-6-5-12-4-3-11-2-1-9/h1H,2-6H2,(H2,8,10)
InChIKeyHZLTVZNHMPOQKD-UHFFFAOYSA-N
XLogP-0.69
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde
CID 86256206
2-[2-(2-methoxyethoxy)ethoxy]acetaldehyde
CID 10607071
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl carbamate
CID 118597467
2-[2-[2-(aminomethoxy)ethoxy]ethoxy]acetaldehyde
CID 118439625
3-[2-(2-oxoethoxy)ethoxy]propanoic acid
CID 87404633
2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate
CID 177163981
2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl carbamate
CID 170160421
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetaldehyde;ethane
CID 142368342
2-[2-[2-(2,2-dihydroxyethoxy)ethoxy]ethoxy]acetaldehyde
CID 90202042
2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbamate
CID 175090580
2-(2-oxoethoxy)ethyl hypobromite
CID 87256554
2-(2-nitrooxyethoxy)ethyl 2-oxoethyl carbonate
CID 90686173

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxoethoxy)ethoxy]ethyl carbamate?
The IUPAC name of 2-[2-(2-oxoethoxy)ethoxy]ethyl carbamate (CID 89498501) is 2-[2-(2-oxoethoxy)ethoxy]ethyl carbamate.
What is the SMILES notation for 2-[2-(2-oxoethoxy)ethoxy]ethyl carbamate?
The canonical SMILES for 2-[2-(2-oxoethoxy)ethoxy]ethyl carbamate is NC(=O)OCCOCCOCC=O.
What is the InChIKey of 2-[2-(2-oxoethoxy)ethoxy]ethyl carbamate?
The InChIKey is HZLTVZNHMPOQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5/c8-7(10)13-6-5-12-4-3-11-2-1-9/h1H,2-6H2,(H2,8,10).
What are the key properties of 2-[2-(2-oxoethoxy)ethoxy]ethyl carbamate?
2-[2-(2-oxoethoxy)ethoxy]ethyl carbamate has a molecular weight of 191.18 g/mol, XLogP of -0.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxoethoxy)ethoxy]ethyl carbamate is sourced from PubChem (CID 89498501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).