2-ethylhexyl N-ethenylcarbamate

C11H21NO2 — CID 21260803

IUPAC2-ethylhexyl N-ethenylcarbamate
SMILESC=CNC(=O)OCC(CC)CCCC
InChIInChI=1S/C11H21NO2/c1-4-7-8-10(5-2)9-14-11(13)12-6-3/h6,10H,3-5,7-9H2,1-2H3,(H,12,13)
InChIKeyIUILEHLPLAYIAK-UHFFFAOYSA-N
MW199.29 g/mol
LogP3.07
Rot. Bonds7

About 2-ethylhexyl N-ethenylcarbamate

2-ethylhexyl N-ethenylcarbamate (PubChem CID 21260803) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-ethylhexyl N-ethenylcarbamate.

Molecular Properties

Compound Name2-ethylhexyl N-ethenylcarbamate
PubChem CID21260803
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-ethylhexyl N-ethenylcarbamate
SMILESC=CNC(=O)OCC(CC)CCCC
InChIInChI=1S/C11H21NO2/c1-4-7-8-10(5-2)9-14-11(13)12-6-3/h6,10H,3-5,7-9H2,1-2H3,(H,12,13)
InChIKeyIUILEHLPLAYIAK-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-ethylhexyl] prop-2-enoate
CID 6994086
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
2-ethylhexyl prop-2-enyl carbonate
CID 91693070
sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride
CID 175143259
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
2-ethylhexyl N-(4-hydroxybutyl)carbamate
CID 54017196
2-ethylhexyl N-(2-methoxyethyl)carbamate
CID 18954420
2-ethylhexyl 4-amino-4-oxobut-2-enoate
CID 54105365
[(2S)-2-ethylhexyl] 2-methylprop-2-enoate
CID 6993188
3-(4-methylpenta-1,4-dien-2-yloxymethyl)heptane
CID 88563765
2-ethylhexyl prop-2-enoate;heptyl prop-2-enoate
CID 19881997
2-ethylhexyl N-[3,5-bis(methoxycarbonylamino)-1,3,5-triazinan-1-yl]carbamate
CID 67788052

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl N-ethenylcarbamate?
The IUPAC name of 2-ethylhexyl N-ethenylcarbamate (CID 21260803) is 2-ethylhexyl N-ethenylcarbamate.
What is the SMILES notation for 2-ethylhexyl N-ethenylcarbamate?
The canonical SMILES for 2-ethylhexyl N-ethenylcarbamate is C=CNC(=O)OCC(CC)CCCC.
What is the InChIKey of 2-ethylhexyl N-ethenylcarbamate?
The InChIKey is IUILEHLPLAYIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-7-8-10(5-2)9-14-11(13)12-6-3/h6,10H,3-5,7-9H2,1-2H3,(H,12,13).
What are the key properties of 2-ethylhexyl N-ethenylcarbamate?
2-ethylhexyl N-ethenylcarbamate has a molecular weight of 199.29 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl N-ethenylcarbamate is sourced from PubChem (CID 21260803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).