tert-butyl N-non-8-enylcarbamate

C14H27NO2 — CID 5282584

IUPACtert-butyl N-non-8-enylcarbamate
SMILESC=CCCCCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-5-6-7-8-9-10-11-12-15-13(16)17-14(2,3)4/h5H,1,6-12H2,2-4H3,(H,15,16)
InChIKeyJSGPSKOVBQNTMJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP4.04
Rot. Bonds8

About tert-butyl N-non-8-enylcarbamate

tert-butyl N-non-8-enylcarbamate (PubChem CID 5282584) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is tert-butyl N-non-8-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-non-8-enylcarbamate
PubChem CID5282584
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nametert-butyl N-non-8-enylcarbamate
SMILESC=CCCCCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-5-6-7-8-9-10-11-12-15-13(16)17-14(2,3)4/h5H,1,6-12H2,2-4H3,(H,15,16)
InChIKeyJSGPSKOVBQNTMJ-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 54.04
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 tert-butyl N-non-8-enylcarbamate?
The IUPAC name of tert-butyl N-non-8-enylcarbamate (CID 5282584) is tert-butyl N-non-8-enylcarbamate.
What is the SMILES notation for tert-butyl N-non-8-enylcarbamate?
The canonical SMILES for tert-butyl N-non-8-enylcarbamate is C=CCCCCCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-non-8-enylcarbamate?
The InChIKey is JSGPSKOVBQNTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-6-7-8-9-10-11-12-15-13(16)17-14(2,3)4/h5H,1,6-12H2,2-4H3,(H,15,16).
What are the key properties of tert-butyl N-non-8-enylcarbamate?
tert-butyl N-non-8-enylcarbamate has a molecular weight of 241.37 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-non-8-enylcarbamate is sourced from PubChem (CID 5282584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).