tert-butyl N-hex-5-enylcarbamate

C11H21NO2 — CID 42636780

IUPACtert-butyl N-hex-5-enylcarbamate
SMILESC=CCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-7-8-9-12-10(13)14-11(2,3)4/h5H,1,6-9H2,2-4H3,(H,12,13)
InChIKeyMWZJWBMZRUVHJD-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.87
Rot. Bonds5

About tert-butyl N-hex-5-enylcarbamate

tert-butyl N-hex-5-enylcarbamate (PubChem CID 42636780) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl N-hex-5-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-hex-5-enylcarbamate
PubChem CID42636780
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl N-hex-5-enylcarbamate
SMILESC=CCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-7-8-9-12-10(13)14-11(2,3)4/h5H,1,6-9H2,2-4H3,(H,12,13)
InChIKeyMWZJWBMZRUVHJD-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 tert-butyl N-hex-5-enylcarbamate?
The IUPAC name of tert-butyl N-hex-5-enylcarbamate (CID 42636780) is tert-butyl N-hex-5-enylcarbamate.
What is the SMILES notation for tert-butyl N-hex-5-enylcarbamate?
The canonical SMILES for tert-butyl N-hex-5-enylcarbamate is C=CCCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-hex-5-enylcarbamate?
The InChIKey is MWZJWBMZRUVHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-7-8-9-12-10(13)14-11(2,3)4/h5H,1,6-9H2,2-4H3,(H,12,13).
What are the key properties of tert-butyl N-hex-5-enylcarbamate?
tert-butyl N-hex-5-enylcarbamate has a molecular weight of 199.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hex-5-enylcarbamate is sourced from PubChem (CID 42636780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).