tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate

C18H33NO2 — CID 122495761

IUPACtert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate
SMILESCC(C)(C)CN(C(=O)OC(C)(C)C)C1/C=C\CCCCC1
InChIInChI=1S/C18H33NO2/c1-17(2,3)14-19(16(20)21-18(4,5)6)15-12-10-8-7-9-11-13-15/h10,12,15H,7-9,11,13-14H2,1-6H3/b12-10-
InChIKeyODQZBVKMRXHXGJ-BENRWUELSA-N
MW295.47 g/mol
LogP5.16
Rot. Bonds2

About tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate

tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate (PubChem CID 122495761) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate
PubChem CID122495761
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Nametert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate
SMILESCC(C)(C)CN(C(=O)OC(C)(C)C)C1/C=C\CCCCC1
InChIInChI=1S/C18H33NO2/c1-17(2,3)14-19(16(20)21-18(4,5)6)15-12-10-8-7-9-11-13-15/h10,12,15H,7-9,11,13-14H2,1-6H3/b12-10-
InChIKeyODQZBVKMRXHXGJ-BENRWUELSA-N
XLogP5.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
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-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate?
The IUPAC name of tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate (CID 122495761) is tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate?
The canonical SMILES for tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate is CC(C)(C)CN(C(=O)OC(C)(C)C)C1/C=C\CCCCC1.
What is the InChIKey of tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate?
The InChIKey is ODQZBVKMRXHXGJ-BENRWUELSA-N. The full InChI is InChI=1S/C18H33NO2/c1-17(2,3)14-19(16(20)21-18(4,5)6)15-12-10-8-7-9-11-13-15/h10,12,15H,7-9,11,13-14H2,1-6H3/b12-10-.
What are the key properties of tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate?
tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate has a molecular weight of 295.47 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate is sourced from PubChem (CID 122495761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).