tert-butyl N-(2,6-dimethylhept-5-enyl)carbamate

C14H27NO2 — CID 11492449

IUPACtert-butyl N-(2,6-dimethylhept-5-enyl)carbamate
SMILESCC(C)=CCCC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-11(2)8-7-9-12(3)10-15-13(16)17-14(4,5)6/h8,12H,7,9-10H2,1-6H3,(H,15,16)
InChIKeyNUMUYZCLNJACER-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.89
Rot. Bonds5

About tert-butyl N-(2,6-dimethylhept-5-enyl)carbamate

tert-butyl N-(2,6-dimethylhept-5-enyl)carbamate (PubChem CID 11492449) has the molecular formula C14H27NO2 and a molecular weight of 241.38 g/mol. Its IUPAC name is tert-butyl N-(2,6-dimethylhept-5-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,6-dimethylhept-5-enyl)carbamate
PubChem CID11492449
Molecular FormulaC14H27NO2
Molecular Weight241.38 g/mol
Exact Mass241.20
IUPAC Nametert-butyl N-(2,6-dimethylhept-5-enyl)carbamate
SMILESCC(C)=CCCC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-11(2)8-7-9-12(3)10-15-13(16)17-14(4,5)6/h8,12H,7,9-10H2,1-6H3,(H,15,16)
InChIKeyNUMUYZCLNJACER-UHFFFAOYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.89
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-(2,6-dimethylhept-5-enyl)carbamate?
The IUPAC name of tert-butyl N-(2,6-dimethylhept-5-enyl)carbamate (CID 11492449) is tert-butyl N-(2,6-dimethylhept-5-enyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,6-dimethylhept-5-enyl)carbamate?
The canonical SMILES for tert-butyl N-(2,6-dimethylhept-5-enyl)carbamate is CC(C)=CCCC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2,6-dimethylhept-5-enyl)carbamate?
The InChIKey is NUMUYZCLNJACER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)8-7-9-12(3)10-15-13(16)17-14(4,5)6/h8,12H,7,9-10H2,1-6H3,(H,15,16).
What are the key properties of tert-butyl N-(2,6-dimethylhept-5-enyl)carbamate?
tert-butyl N-(2,6-dimethylhept-5-enyl)carbamate has a molecular weight of 241.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,6-dimethylhept-5-enyl)carbamate is sourced from PubChem (CID 11492449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).