tert-butyl N-[[(4Z)-cyclooct-4-en-1-yl]methyl]-N-ethylcarbamate

C16H29NO2 — CID 102430387

IUPACtert-butyl N-[[(4Z)-cyclooct-4-en-1-yl]methyl]-N-ethylcarbamate
SMILESCCN(CC1CC/C=C\CCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO2/c1-5-17(15(18)19-16(2,3)4)13-14-11-9-7-6-8-10-12-14/h6-7,14H,5,8-13H2,1-4H3/b7-6-
InChIKeyDLVYIFSAVMCGIX-SREVYHEPSA-N
MW267.41 g/mol
LogP4.38
Rot. Bonds3

About tert-butyl N-[[(4Z)-cyclooct-4-en-1-yl]methyl]-N-ethylcarbamate

tert-butyl N-[[(4Z)-cyclooct-4-en-1-yl]methyl]-N-ethylcarbamate (PubChem CID 102430387) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is tert-butyl N-[[(4Z)-cyclooct-4-en-1-yl]methyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[(4Z)-cyclooct-4-en-1-yl]methyl]-N-ethylcarbamate
PubChem CID102430387
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Nametert-butyl N-[[(4Z)-cyclooct-4-en-1-yl]methyl]-N-ethylcarbamate
SMILESCCN(CC1CC/C=C\CCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO2/c1-5-17(15(18)19-16(2,3)4)13-14-11-9-7-6-8-10-12-14/h6-7,14H,5,8-13H2,1-4H3/b7-6-
InChIKeyDLVYIFSAVMCGIX-SREVYHEPSA-N
XLogP4.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.38
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-[[(4Z)-cyclooct-4-en-1-yl]methyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[[(4Z)-cyclooct-4-en-1-yl]methyl]-N-ethylcarbamate (CID 102430387) is tert-butyl N-[[(4Z)-cyclooct-4-en-1-yl]methyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[[(4Z)-cyclooct-4-en-1-yl]methyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[[(4Z)-cyclooct-4-en-1-yl]methyl]-N-ethylcarbamate is CCN(CC1CC/C=C\CCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(4Z)-cyclooct-4-en-1-yl]methyl]-N-ethylcarbamate?
The InChIKey is DLVYIFSAVMCGIX-SREVYHEPSA-N. The full InChI is InChI=1S/C16H29NO2/c1-5-17(15(18)19-16(2,3)4)13-14-11-9-7-6-8-10-12-14/h6-7,14H,5,8-13H2,1-4H3/b7-6-.
What are the key properties of tert-butyl N-[[(4Z)-cyclooct-4-en-1-yl]methyl]-N-ethylcarbamate?
tert-butyl N-[[(4Z)-cyclooct-4-en-1-yl]methyl]-N-ethylcarbamate has a molecular weight of 267.41 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(4Z)-cyclooct-4-en-1-yl]methyl]-N-ethylcarbamate is sourced from PubChem (CID 102430387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).