but-3-en-2-yl N-(2,2-dimethoxyethyl)-N-ethylcarbamate

C11H21NO4 — CID 175393012

IUPACbut-3-en-2-yl N-(2,2-dimethoxyethyl)-N-ethylcarbamate
SMILESC=CC(C)OC(=O)N(CC)CC(OC)OC
InChIInChI=1S/C11H21NO4/c1-6-9(3)16-11(13)12(7-2)8-10(14-4)15-5/h6,9-10H,1,7-8H2,2-5H3
InChIKeyMWCKLODBPQEZJG-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.64
Rot. Bonds7

About but-3-en-2-yl N-(2,2-dimethoxyethyl)-N-ethylcarbamate

but-3-en-2-yl N-(2,2-dimethoxyethyl)-N-ethylcarbamate (PubChem CID 175393012) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is but-3-en-2-yl N-(2,2-dimethoxyethyl)-N-ethylcarbamate.

Molecular Properties

Compound Namebut-3-en-2-yl N-(2,2-dimethoxyethyl)-N-ethylcarbamate
PubChem CID175393012
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namebut-3-en-2-yl N-(2,2-dimethoxyethyl)-N-ethylcarbamate
SMILESC=CC(C)OC(=O)N(CC)CC(OC)OC
InChIInChI=1S/C11H21NO4/c1-6-9(3)16-11(13)12(7-2)8-10(14-4)15-5/h6,9-10H,1,7-8H2,2-5H3
InChIKeyMWCKLODBPQEZJG-UHFFFAOYSA-N
XLogP1.64
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-en-2-yl N-(2,2-dimethoxyethyl)-N-ethylcarbamate?
The IUPAC name of but-3-en-2-yl N-(2,2-dimethoxyethyl)-N-ethylcarbamate (CID 175393012) is but-3-en-2-yl N-(2,2-dimethoxyethyl)-N-ethylcarbamate.
What is the SMILES notation for but-3-en-2-yl N-(2,2-dimethoxyethyl)-N-ethylcarbamate?
The canonical SMILES for but-3-en-2-yl N-(2,2-dimethoxyethyl)-N-ethylcarbamate is C=CC(C)OC(=O)N(CC)CC(OC)OC.
What is the InChIKey of but-3-en-2-yl N-(2,2-dimethoxyethyl)-N-ethylcarbamate?
The InChIKey is MWCKLODBPQEZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-6-9(3)16-11(13)12(7-2)8-10(14-4)15-5/h6,9-10H,1,7-8H2,2-5H3.
What are the key properties of but-3-en-2-yl N-(2,2-dimethoxyethyl)-N-ethylcarbamate?
but-3-en-2-yl N-(2,2-dimethoxyethyl)-N-ethylcarbamate has a molecular weight of 231.29 g/mol, XLogP of 1.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yl N-(2,2-dimethoxyethyl)-N-ethylcarbamate is sourced from PubChem (CID 175393012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).