tert-butyl N-hept-6-en-2-ylcarbamate

C12H23NO2 — CID 76581366

IUPACtert-butyl N-hept-6-en-2-ylcarbamate
SMILESC=CCCCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-6-7-8-9-10(2)13-11(14)15-12(3,4)5/h6,10H,1,7-9H2,2-5H3,(H,13,14)
InChIKeyCSHDRBXLALARGN-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.26
Rot. Bonds5

About tert-butyl N-hept-6-en-2-ylcarbamate

tert-butyl N-hept-6-en-2-ylcarbamate (PubChem CID 76581366) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl N-hept-6-en-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-hept-6-en-2-ylcarbamate
PubChem CID76581366
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl N-hept-6-en-2-ylcarbamate
SMILESC=CCCCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-6-7-8-9-10(2)13-11(14)15-12(3,4)5/h6,10H,1,7-9H2,2-5H3,(H,13,14)
InChIKeyCSHDRBXLALARGN-UHFFFAOYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.26
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-hept-6-en-2-ylcarbamate?
The IUPAC name of tert-butyl N-hept-6-en-2-ylcarbamate (CID 76581366) is tert-butyl N-hept-6-en-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-hept-6-en-2-ylcarbamate?
The canonical SMILES for tert-butyl N-hept-6-en-2-ylcarbamate is C=CCCCC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-hept-6-en-2-ylcarbamate?
The InChIKey is CSHDRBXLALARGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-7-8-9-10(2)13-11(14)15-12(3,4)5/h6,10H,1,7-9H2,2-5H3,(H,13,14).
What are the key properties of tert-butyl N-hept-6-en-2-ylcarbamate?
tert-butyl N-hept-6-en-2-ylcarbamate has a molecular weight of 213.32 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hept-6-en-2-ylcarbamate is sourced from PubChem (CID 76581366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).