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

C24H41NO2 — CID 10833322

IUPAC[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-propylcarbamate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(=O)NCCC
InChIInChI=1S/C24H41NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27-24(26)25-22-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-23H2,1-2H3,(H,25,26)/b9-8-,12-11-,15-14-,18-17-
InChIKeyORAVFDRYNHRESX-GKFVBPDJSA-N
MW375.60 g/mol
LogP7.27
Rot. Bonds17

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

[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-propylcarbamate (PubChem CID 10833322) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-propylcarbamate.

Molecular Properties

Compound Name[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-propylcarbamate
PubChem CID10833322
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC Name[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-propylcarbamate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(=O)NCCC
InChIInChI=1S/C24H41NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27-24(26)25-22-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-23H2,1-2H3,(H,25,26)/b9-8-,12-11-,15-14-,18-17-
InChIKeyORAVFDRYNHRESX-GKFVBPDJSA-N
XLogP7.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 57.27
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'}

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Frequently Asked Questions

What is the IUPAC name of [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-propylcarbamate?
The IUPAC name of [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-propylcarbamate (CID 10833322) is [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-propylcarbamate.
What is the SMILES notation for [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-propylcarbamate?
The canonical SMILES for [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-propylcarbamate is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(=O)NCCC.
What is the InChIKey of [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-propylcarbamate?
The InChIKey is ORAVFDRYNHRESX-GKFVBPDJSA-N. The full InChI is InChI=1S/C24H41NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27-24(26)25-22-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-23H2,1-2H3,(H,25,26)/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-propylcarbamate?
[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-propylcarbamate has a molecular weight of 375.60 g/mol, XLogP of 7.27, 17 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-propylcarbamate is sourced from PubChem (CID 10833322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).