oct-7-enyl N-ethylcarbamate

C11H21NO2 — CID 23466762

IUPACoct-7-enyl N-ethylcarbamate
SMILESC=CCCCCCCOC(=O)NCC
InChIInChI=1S/C11H21NO2/c1-3-5-6-7-8-9-10-14-11(13)12-4-2/h3H,1,4-10H2,2H3,(H,12,13)
InChIKeyGFXAWAGPAUUBCX-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.87
Rot. Bonds8

About oct-7-enyl N-ethylcarbamate

oct-7-enyl N-ethylcarbamate (PubChem CID 23466762) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is oct-7-enyl N-ethylcarbamate.

Molecular Properties

Compound Nameoct-7-enyl N-ethylcarbamate
PubChem CID23466762
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameoct-7-enyl N-ethylcarbamate
SMILESC=CCCCCCCOC(=O)NCC
InChIInChI=1S/C11H21NO2/c1-3-5-6-7-8-9-10-14-11(13)12-4-2/h3H,1,4-10H2,2H3,(H,12,13)
InChIKeyGFXAWAGPAUUBCX-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oct-7-enyl N-ethylcarbamate?
The IUPAC name of oct-7-enyl N-ethylcarbamate (CID 23466762) is oct-7-enyl N-ethylcarbamate.
What is the SMILES notation for oct-7-enyl N-ethylcarbamate?
The canonical SMILES for oct-7-enyl N-ethylcarbamate is C=CCCCCCCOC(=O)NCC.
What is the InChIKey of oct-7-enyl N-ethylcarbamate?
The InChIKey is GFXAWAGPAUUBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-6-7-8-9-10-14-11(13)12-4-2/h3H,1,4-10H2,2H3,(H,12,13).
What are the key properties of oct-7-enyl N-ethylcarbamate?
oct-7-enyl N-ethylcarbamate has a molecular weight of 199.29 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oct-7-enyl N-ethylcarbamate is sourced from PubChem (CID 23466762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).