2-ethylhexyl N-ethylcarbamate

C11H23NO2 — CID 91699367

IUPAC2-ethylhexyl N-ethylcarbamate
SMILESCCCCC(CC)COC(=O)NCC
InChIInChI=1S/C11H23NO2/c1-4-7-8-10(5-2)9-14-11(13)12-6-3/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyWMMROAPNGBITFF-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.95
Rot. Bonds7

About 2-ethylhexyl N-ethylcarbamate

2-ethylhexyl N-ethylcarbamate (PubChem CID 91699367) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-ethylhexyl N-ethylcarbamate.

Molecular Properties

Compound Name2-ethylhexyl N-ethylcarbamate
PubChem CID91699367
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-ethylhexyl N-ethylcarbamate
SMILESCCCCC(CC)COC(=O)NCC
InChIInChI=1S/C11H23NO2/c1-4-7-8-10(5-2)9-14-11(13)12-6-3/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyWMMROAPNGBITFF-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl N-ethylcarbamate?
The IUPAC name of 2-ethylhexyl N-ethylcarbamate (CID 91699367) is 2-ethylhexyl N-ethylcarbamate.
What is the SMILES notation for 2-ethylhexyl N-ethylcarbamate?
The canonical SMILES for 2-ethylhexyl N-ethylcarbamate is CCCCC(CC)COC(=O)NCC.
What is the InChIKey of 2-ethylhexyl N-ethylcarbamate?
The InChIKey is WMMROAPNGBITFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-7-8-10(5-2)9-14-11(13)12-6-3/h10H,4-9H2,1-3H3,(H,12,13).
What are the key properties of 2-ethylhexyl N-ethylcarbamate?
2-ethylhexyl N-ethylcarbamate has a molecular weight of 201.31 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl N-ethylcarbamate is sourced from PubChem (CID 91699367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).