tert-butyl N-(6-ethenyloct-6-en-4-yl)carbamate

C15H27NO2 — CID 91094489

IUPACtert-butyl N-(6-ethenyloct-6-en-4-yl)carbamate
SMILESC=CC(=CC)CC(CCC)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO2/c1-7-10-13(11-12(8-2)9-3)16-14(17)18-15(4,5)6/h8-9,13H,2,7,10-11H2,1,3-6H3,(H,16,17)
InChIKeyBWYOPSIADSEFFQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.20
Rot. Bonds6

About tert-butyl N-(6-ethenyloct-6-en-4-yl)carbamate

tert-butyl N-(6-ethenyloct-6-en-4-yl)carbamate (PubChem CID 91094489) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is tert-butyl N-(6-ethenyloct-6-en-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-ethenyloct-6-en-4-yl)carbamate
PubChem CID91094489
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nametert-butyl N-(6-ethenyloct-6-en-4-yl)carbamate
SMILESC=CC(=CC)CC(CCC)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO2/c1-7-10-13(11-12(8-2)9-3)16-14(17)18-15(4,5)6/h8-9,13H,2,7,10-11H2,1,3-6H3,(H,16,17)
InChIKeyBWYOPSIADSEFFQ-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-1-Boc-Amino-3-cyclopentene
CID 2756764
tert-Butyl cyclohex-3-enylcarbamate
CID 11063381
tert-Butyl (4-fluorocyclohex-3-en-1-yl)carbamate
CID 45092205
tert-Butyl cyclohex-2-en-1-ylcarbamate
CID 10012946
tert-butyl N-[6-(tert-butoxycarbonylamino)cyclohex-3-en-1-yl]carbamate
CID 384583
tert-butyl N-[(E)-4-cyclohexylidenebut-2-enyl]carbamate
CID 14395680
tert-butyl N-(4-ethenylhexa-3,5-dienyl)carbamate
CID 134857643
di-tert-butyl ((1S,2S)-cyclohex-4-ene-1,2-diyl)dicarbamate
CID 66575486
(R)-4-(Boc-amino)cyclohexene
CID 66696471
tert-butyl N-(2-cyclohexa-1,4-dien-1-ylethyl)carbamate
CID 155934190
t-Butyl [4-(4-fluorobutylidene)cyclohexyl]-carbamate
CID 86629086
tert-butyl N-[2-(trifluoromethyl)cyclopent-2-en-1-yl]carbamate
CID 123195771

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-ethenyloct-6-en-4-yl)carbamate?
The IUPAC name of tert-butyl N-(6-ethenyloct-6-en-4-yl)carbamate (CID 91094489) is tert-butyl N-(6-ethenyloct-6-en-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-ethenyloct-6-en-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-ethenyloct-6-en-4-yl)carbamate is C=CC(=CC)CC(CCC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(6-ethenyloct-6-en-4-yl)carbamate?
The InChIKey is BWYOPSIADSEFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-7-10-13(11-12(8-2)9-3)16-14(17)18-15(4,5)6/h8-9,13H,2,7,10-11H2,1,3-6H3,(H,16,17).
What are the key properties of tert-butyl N-(6-ethenyloct-6-en-4-yl)carbamate?
tert-butyl N-(6-ethenyloct-6-en-4-yl)carbamate has a molecular weight of 253.39 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-ethenyloct-6-en-4-yl)carbamate is sourced from PubChem (CID 91094489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).