tert-butyl N-(2,2-dimethylhex-5-en-3-yl)carbamate

C13H25NO2 — CID 72765684

IUPACtert-butyl N-(2,2-dimethylhex-5-en-3-yl)carbamate
SMILESC=CCC(NC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H25NO2/c1-8-9-10(12(2,3)4)14-11(15)16-13(5,6)7/h8,10H,1,9H2,2-7H3,(H,14,15)
InChIKeyARXLIYMDVXEQHJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.50
Rot. Bonds3

About tert-butyl N-(2,2-dimethylhex-5-en-3-yl)carbamate

tert-butyl N-(2,2-dimethylhex-5-en-3-yl)carbamate (PubChem CID 72765684) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is tert-butyl N-(2,2-dimethylhex-5-en-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2-dimethylhex-5-en-3-yl)carbamate
PubChem CID72765684
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametert-butyl N-(2,2-dimethylhex-5-en-3-yl)carbamate
SMILESC=CCC(NC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H25NO2/c1-8-9-10(12(2,3)4)14-11(15)16-13(5,6)7/h8,10H,1,9H2,2-7H3,(H,14,15)
InChIKeyARXLIYMDVXEQHJ-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2-dimethylhex-5-en-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2,2-dimethylhex-5-en-3-yl)carbamate (CID 72765684) is tert-butyl N-(2,2-dimethylhex-5-en-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2,2-dimethylhex-5-en-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2,2-dimethylhex-5-en-3-yl)carbamate is C=CCC(NC(=O)OC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl N-(2,2-dimethylhex-5-en-3-yl)carbamate?
The InChIKey is ARXLIYMDVXEQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-8-9-10(12(2,3)4)14-11(15)16-13(5,6)7/h8,10H,1,9H2,2-7H3,(H,14,15).
What are the key properties of tert-butyl N-(2,2-dimethylhex-5-en-3-yl)carbamate?
tert-butyl N-(2,2-dimethylhex-5-en-3-yl)carbamate has a molecular weight of 227.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,2-dimethylhex-5-en-3-yl)carbamate is sourced from PubChem (CID 72765684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).