carbon dioxide;[ethyl(methyl)carbamoyl]oxymethyl acetate

C8H13NO6 — CID 123933584

IUPACcarbon dioxide;[ethyl(methyl)carbamoyl]oxymethyl acetate
SMILESCCN(C)C(=O)OCOC(C)=O.O=C=O
InChIInChI=1S/C7H13NO4.CO2/c1-4-8(3)7(10)12-5-11-6(2)9;2-1-3/h4-5H2,1-3H3;
InChIKeyKFSONEFEIIJEFT-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.01
Rot. Bonds3

About carbon dioxide;[ethyl(methyl)carbamoyl]oxymethyl acetate

carbon dioxide;[ethyl(methyl)carbamoyl]oxymethyl acetate (PubChem CID 123933584) has the molecular formula C8H13NO6 and a molecular weight of 219.19 g/mol. Its IUPAC name is carbon dioxide;[ethyl(methyl)carbamoyl]oxymethyl acetate.

Molecular Properties

Compound Namecarbon dioxide;[ethyl(methyl)carbamoyl]oxymethyl acetate
PubChem CID123933584
Molecular FormulaC8H13NO6
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Namecarbon dioxide;[ethyl(methyl)carbamoyl]oxymethyl acetate
SMILESCCN(C)C(=O)OCOC(C)=O.O=C=O
InChIInChI=1S/C7H13NO4.CO2/c1-4-8(3)7(10)12-5-11-6(2)9;2-1-3/h4-5H2,1-3H3;
InChIKeyKFSONEFEIIJEFT-UHFFFAOYSA-N
XLogP0.01
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

acetyloxymethyl acetate;azane
CID 172795061
2-aminoethyl N-ethyl-N-methylcarbamate
CID 58684517
2-[ethyl(methyl)carbamoyl]oxyacetic acid
CID 142231802
carbon dioxide;ethyl acetate
CID 86667926
acetic acid;acetyloxymethyl acetate
CID 175421869
2-oxoethyl N-ethyl-N-methylcarbamate
CID 174878771
3-aminopropyl N-ethyl-N-methylcarbamate
CID 79337730
(2-amino-2-methylpropyl) N-ethyl-N-methylcarbamate
CID 79337132
ethane;prop-2-enyl N-ethyl-N-methylcarbamate
CID 142891984
bis(acetyloxymethyl) propanedioate
CID 59124845
ethyl N-(isocyanatomethyl)-N-methylcarbamate
CID 54373342
acetyl acetate;acetyloxymethyl acetate;hydroxymethyl acetate
CID 158119502

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;[ethyl(methyl)carbamoyl]oxymethyl acetate?
The IUPAC name of carbon dioxide;[ethyl(methyl)carbamoyl]oxymethyl acetate (CID 123933584) is carbon dioxide;[ethyl(methyl)carbamoyl]oxymethyl acetate.
What is the SMILES notation for carbon dioxide;[ethyl(methyl)carbamoyl]oxymethyl acetate?
The canonical SMILES for carbon dioxide;[ethyl(methyl)carbamoyl]oxymethyl acetate is CCN(C)C(=O)OCOC(C)=O.O=C=O.
What is the InChIKey of carbon dioxide;[ethyl(methyl)carbamoyl]oxymethyl acetate?
The InChIKey is KFSONEFEIIJEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4.CO2/c1-4-8(3)7(10)12-5-11-6(2)9;2-1-3/h4-5H2,1-3H3;.
What are the key properties of carbon dioxide;[ethyl(methyl)carbamoyl]oxymethyl acetate?
carbon dioxide;[ethyl(methyl)carbamoyl]oxymethyl acetate has a molecular weight of 219.19 g/mol, XLogP of 0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;[ethyl(methyl)carbamoyl]oxymethyl acetate is sourced from PubChem (CID 123933584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).