tert-butyl N-[2-[(3Z)-3-ethenylhexa-3,5-dienoxy]ethyl]-N-ethylcarbamate

C17H29NO3 — CID 143129228

IUPACtert-butyl N-[2-[(3Z)-3-ethenylhexa-3,5-dienoxy]ethyl]-N-ethylcarbamate
SMILESC=C/C=C(\C=C)CCOCCN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C17H29NO3/c1-7-10-15(8-2)11-13-20-14-12-18(9-3)16(19)21-17(4,5)6/h7-8,10H,1-2,9,11-14H2,3-6H3/b15-10+
InChIKeyZVQJHBCZLMJKJV-XNTDXEJSSA-N
MW295.42 g/mol
LogP3.95
Rot. Bonds9

About tert-butyl N-[2-[(3Z)-3-ethenylhexa-3,5-dienoxy]ethyl]-N-ethylcarbamate

tert-butyl N-[2-[(3Z)-3-ethenylhexa-3,5-dienoxy]ethyl]-N-ethylcarbamate (PubChem CID 143129228) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is tert-butyl N-[2-[(3Z)-3-ethenylhexa-3,5-dienoxy]ethyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3Z)-3-ethenylhexa-3,5-dienoxy]ethyl]-N-ethylcarbamate
PubChem CID143129228
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Nametert-butyl N-[2-[(3Z)-3-ethenylhexa-3,5-dienoxy]ethyl]-N-ethylcarbamate
SMILESC=C/C=C(\C=C)CCOCCN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C17H29NO3/c1-7-10-15(8-2)11-13-20-14-12-18(9-3)16(19)21-17(4,5)6/h7-8,10H,1-2,9,11-14H2,3-6H3/b15-10+
InChIKeyZVQJHBCZLMJKJV-XNTDXEJSSA-N
XLogP3.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate;ethane
CID 177159912
benzyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]-N-ethylcarbamate
CID 143447868
tert-butyl 6-[2-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]ethoxy]ethoxy]hexanoate
CID 168969824
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866
tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate
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tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate
CID 177330267

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3Z)-3-ethenylhexa-3,5-dienoxy]ethyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[2-[(3Z)-3-ethenylhexa-3,5-dienoxy]ethyl]-N-ethylcarbamate (CID 143129228) is tert-butyl N-[2-[(3Z)-3-ethenylhexa-3,5-dienoxy]ethyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(3Z)-3-ethenylhexa-3,5-dienoxy]ethyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(3Z)-3-ethenylhexa-3,5-dienoxy]ethyl]-N-ethylcarbamate is C=C/C=C(\C=C)CCOCCN(CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(3Z)-3-ethenylhexa-3,5-dienoxy]ethyl]-N-ethylcarbamate?
The InChIKey is ZVQJHBCZLMJKJV-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H29NO3/c1-7-10-15(8-2)11-13-20-14-12-18(9-3)16(19)21-17(4,5)6/h7-8,10H,1-2,9,11-14H2,3-6H3/b15-10+.
What are the key properties of tert-butyl N-[2-[(3Z)-3-ethenylhexa-3,5-dienoxy]ethyl]-N-ethylcarbamate?
tert-butyl N-[2-[(3Z)-3-ethenylhexa-3,5-dienoxy]ethyl]-N-ethylcarbamate has a molecular weight of 295.42 g/mol, XLogP of 3.95, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3Z)-3-ethenylhexa-3,5-dienoxy]ethyl]-N-ethylcarbamate is sourced from PubChem (CID 143129228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).