1,1-diethoxyethane;ethyl carbamate

C9H21NO4 — CID 87259573

IUPAC1,1-diethoxyethane;ethyl carbamate
SMILESCCOC(C)OCC.CCOC(N)=O
InChIInChI=1S/C6H14O2.C3H7NO2/c1-4-7-6(3)8-5-2;1-2-6-3(4)5/h6H,4-5H2,1-3H3;2H2,1H3,(H2,4,5)
InChIKeyICGFCDGWBCAVKX-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.51
Rot. Bonds5

About 1,1-diethoxyethane;ethyl carbamate

1,1-diethoxyethane;ethyl carbamate (PubChem CID 87259573) has the molecular formula C9H21NO4 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1,1-diethoxyethane;ethyl carbamate.

Molecular Properties

Compound Name1,1-diethoxyethane;ethyl carbamate
PubChem CID87259573
Molecular FormulaC9H21NO4
Molecular Weight207.27 g/mol
Exact Mass207.15
IUPAC Name1,1-diethoxyethane;ethyl carbamate
SMILESCCOC(C)OCC.CCOC(N)=O
InChIInChI=1S/C6H14O2.C3H7NO2/c1-4-7-6(3)8-5-2;1-2-6-3(4)5/h6H,4-5H2,1-3H3;2H2,1H3,(H2,4,5)
InChIKeyICGFCDGWBCAVKX-UHFFFAOYSA-N
XLogP1.51
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.51
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

1-Carbamoyloxyethyl acetate
CID 18769180
1-Butoxypropyl carbamate
CID 19430616
1-Propoxypropyl carbamate
CID 19430620
1-Propoxyethyl carbamate
CID 21498364
1-Pentoxyethyl carbamate
CID 21498366
1-[1-(1-Methoxyethoxy)ethoxy]ethyl carbamate
CID 21908439
1-Ethoxyethyl carbamate
CID 22266872
1-Methoxyethyl carbamate
CID 23617543
1-Methoxyethyl carbamate;methoxymethane
CID 23618921
(2-Ethoxy-2-methoxyethyl) carbamate
CID 53705140
1-Carbamoyloxyethyl ethyl carbonate
CID 53886601
3,3-Diethoxypropyl carbamate
CID 87122485

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyethane;ethyl carbamate?
The IUPAC name of 1,1-diethoxyethane;ethyl carbamate (CID 87259573) is 1,1-diethoxyethane;ethyl carbamate.
What is the SMILES notation for 1,1-diethoxyethane;ethyl carbamate?
The canonical SMILES for 1,1-diethoxyethane;ethyl carbamate is CCOC(C)OCC.CCOC(N)=O.
What is the InChIKey of 1,1-diethoxyethane;ethyl carbamate?
The InChIKey is ICGFCDGWBCAVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C3H7NO2/c1-4-7-6(3)8-5-2;1-2-6-3(4)5/h6H,4-5H2,1-3H3;2H2,1H3,(H2,4,5).
What are the key properties of 1,1-diethoxyethane;ethyl carbamate?
1,1-diethoxyethane;ethyl carbamate has a molecular weight of 207.27 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethane;ethyl carbamate is sourced from PubChem (CID 87259573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).