octyl N-ethylidenecarbamate

C11H21NO2 — CID 123466877

IUPACoctyl N-ethylidenecarbamate
SMILESCC=NC(=O)OCCCCCCCC
InChIInChI=1S/C11H21NO2/c1-3-5-6-7-8-9-10-14-11(13)12-4-2/h4H,3,5-10H2,1-2H3
InChIKeyQCIZKCWJFZSVRO-UHFFFAOYSA-N
MW199.29 g/mol
LogP3.57
Rot. Bonds7

About octyl N-ethylidenecarbamate

octyl N-ethylidenecarbamate (PubChem CID 123466877) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is octyl N-ethylidenecarbamate.

Molecular Properties

Compound Nameoctyl N-ethylidenecarbamate
PubChem CID123466877
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameoctyl N-ethylidenecarbamate
SMILESCC=NC(=O)OCCCCCCCC
InChIInChI=1S/C11H21NO2/c1-3-5-6-7-8-9-10-14-11(13)12-4-2/h4H,3,5-10H2,1-2H3
InChIKeyQCIZKCWJFZSVRO-UHFFFAOYSA-N
XLogP3.57
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of octyl N-ethylidenecarbamate?
The IUPAC name of octyl N-ethylidenecarbamate (CID 123466877) is octyl N-ethylidenecarbamate.
What is the SMILES notation for octyl N-ethylidenecarbamate?
The canonical SMILES for octyl N-ethylidenecarbamate is CC=NC(=O)OCCCCCCCC.
What is the InChIKey of octyl N-ethylidenecarbamate?
The InChIKey is QCIZKCWJFZSVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-6-7-8-9-10-14-11(13)12-4-2/h4H,3,5-10H2,1-2H3.
What are the key properties of octyl N-ethylidenecarbamate?
octyl N-ethylidenecarbamate has a molecular weight of 199.29 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N-ethylidenecarbamate is sourced from PubChem (CID 123466877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).