[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-ethylcarbamate

C23H39NO2 — CID 10832451

IUPAC[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-ethylcarbamate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(=O)NCC
InChIInChI=1S/C23H39NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-23(25)24-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-22H2,1-2H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17-
InChIKeyCIXKMOKCEUDUJA-GKFVBPDJSA-N
MW361.57 g/mol
LogP6.88
Rot. Bonds16

About [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-ethylcarbamate

[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-ethylcarbamate (PubChem CID 10832451) has the molecular formula C23H39NO2 and a molecular weight of 361.57 g/mol. Its IUPAC name is [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-ethylcarbamate.

Molecular Properties

Compound Name[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-ethylcarbamate
PubChem CID10832451
Molecular FormulaC23H39NO2
Molecular Weight361.57 g/mol
Exact Mass361.30
IUPAC Name[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-ethylcarbamate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(=O)NCC
InChIInChI=1S/C23H39NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-23(25)24-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-22H2,1-2H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17-
InChIKeyCIXKMOKCEUDUJA-GKFVBPDJSA-N
XLogP6.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-ethylcarbamate with MolForge

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Related Compounds

((4Z,7Z,10Z,13Z)-Nonadeca-4,7,10,13-tetraenyl)-carbamic acid 2-fluoro-ethyl ester
CID 10570871
((4Z,7Z,10Z,13Z)-Nonadeca-4,7,10,13-tetraenyl)-carbamic acid ethyl ester
CID 10736448
Isopropyl-carbamic acid (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl ester
CID 10833321
Propyl-carbamic acid (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl ester
CID 10833322
((4Z,7Z,10Z,13Z)-Nonadeca-4,7,10,13-tetraenyl)-carbamic acid isopropyl ester
CID 10570600
ethyl N-nonadeca-4,7,10,13-tetraenylcarbamate
CID 49823678
ethyl N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]carbamate
CID 9906974
oct-7-enyl N-ethylcarbamate
CID 23466762
octadecyl N-octadec-9-enylcarbamate
CID 53772897
[(5Z,8Z,11Z,17Z)-icosa-5,8,11,17-tetraenyl] N-(2-sulfanylethyl)carbamate
CID 54754813
[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl] N-(2-sulfanylethyl)carbamate
CID 56649285
[(5Z,8Z,11Z,17Z)-icosa-5,8,11,17-tetraenyl] N-propylcarbamate
CID 58537691

Frequently Asked Questions

What is the IUPAC name of [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-ethylcarbamate?
The IUPAC name of [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-ethylcarbamate (CID 10832451) is [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-ethylcarbamate.
What is the SMILES notation for [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-ethylcarbamate?
The canonical SMILES for [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-ethylcarbamate is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(=O)NCC.
What is the InChIKey of [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-ethylcarbamate?
The InChIKey is CIXKMOKCEUDUJA-GKFVBPDJSA-N. The full InChI is InChI=1S/C23H39NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-23(25)24-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-22H2,1-2H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17-.
What are the key properties of [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-ethylcarbamate?
[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-ethylcarbamate has a molecular weight of 361.57 g/mol, XLogP of 6.88, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-ethylcarbamate is sourced from PubChem (CID 10832451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).