[(4Z,7Z,10Z,13Z,16Z)-icosa-4,7,10,13,16-pentaenyl] 2-methylpropanoate

C24H38O2 — CID 58579282

IUPAC[(4Z,7Z,10Z,13Z,16Z)-icosa-4,7,10,13,16-pentaenyl] 2-methylpropanoate
SMILESCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCOC(=O)C(C)C
InChIInChI=1S/C24H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-24(25)23(2)3/h6-7,9-10,12-13,15-16,18-19,23H,4-5,8,11,14,17,20-22H2,1-3H3/b7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyBHHFSFSZDVHSNZ-WMPRHZDHSA-N
MW358.57 g/mol
LogP7.11
Rot. Bonds15

About [(4Z,7Z,10Z,13Z,16Z)-icosa-4,7,10,13,16-pentaenyl] 2-methylpropanoate

[(4Z,7Z,10Z,13Z,16Z)-icosa-4,7,10,13,16-pentaenyl] 2-methylpropanoate (PubChem CID 58579282) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is [(4Z,7Z,10Z,13Z,16Z)-icosa-4,7,10,13,16-pentaenyl] 2-methylpropanoate.

Molecular Properties

Compound Name[(4Z,7Z,10Z,13Z,16Z)-icosa-4,7,10,13,16-pentaenyl] 2-methylpropanoate
PubChem CID58579282
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Name[(4Z,7Z,10Z,13Z,16Z)-icosa-4,7,10,13,16-pentaenyl] 2-methylpropanoate
SMILESCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCOC(=O)C(C)C
InChIInChI=1S/C24H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-24(25)23(2)3/h6-7,9-10,12-13,15-16,18-19,23H,4-5,8,11,14,17,20-22H2,1-3H3/b7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyBHHFSFSZDVHSNZ-WMPRHZDHSA-N
XLogP7.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 57.11
H-Bond Donors ≤ 50
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 [(4Z,7Z,10Z,13Z,16Z)-icosa-4,7,10,13,16-pentaenyl] 2-methylpropanoate with MolForge

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Related Compounds

[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl] 2-methylpropanoate
CID 58579153
[(Z)-oct-4-enyl] 3-methylbutanoate
CID 5352818
methyl [(E)-oct-4-enyl] carbonate
CID 118976612
butyl 2-methylpropanoate;2-methylpropane
CID 157176975
[(9Z,12Z)-octadeca-9,12-dienyl] (2S)-2-amino-4-methylpentanoate
CID 87815188
3-O-heptadeca-8,11-dienyl 2-O-heptadec-8-enyl 1-O-pentadecyl propane-1,2,3-tricarboxylate
CID 5239431
[(5E,8Z,11E,14E)-icosa-5,8,11,14-tetraenyl] acetate
CID 124937607
decyl octadeca-9,12-dienyl carbonate
CID 54461571
octadeca-9,12-dienyl octadecyl carbonate
CID 54353662
2-methylpropyl [(9Z,12E)-octadeca-9,12-dienyl] carbonate
CID 58356958
propyl (9Z,12Z)-hexadeca-9,12-dienoate
CID 91694369
bis(octadec-9-enyl) 2,3-diethoxybutanedioate
CID 123401106

Frequently Asked Questions

What is the IUPAC name of [(4Z,7Z,10Z,13Z,16Z)-icosa-4,7,10,13,16-pentaenyl] 2-methylpropanoate?
The IUPAC name of [(4Z,7Z,10Z,13Z,16Z)-icosa-4,7,10,13,16-pentaenyl] 2-methylpropanoate (CID 58579282) is [(4Z,7Z,10Z,13Z,16Z)-icosa-4,7,10,13,16-pentaenyl] 2-methylpropanoate.
What is the SMILES notation for [(4Z,7Z,10Z,13Z,16Z)-icosa-4,7,10,13,16-pentaenyl] 2-methylpropanoate?
The canonical SMILES for [(4Z,7Z,10Z,13Z,16Z)-icosa-4,7,10,13,16-pentaenyl] 2-methylpropanoate is CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCOC(=O)C(C)C.
What is the InChIKey of [(4Z,7Z,10Z,13Z,16Z)-icosa-4,7,10,13,16-pentaenyl] 2-methylpropanoate?
The InChIKey is BHHFSFSZDVHSNZ-WMPRHZDHSA-N. The full InChI is InChI=1S/C24H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-24(25)23(2)3/h6-7,9-10,12-13,15-16,18-19,23H,4-5,8,11,14,17,20-22H2,1-3H3/b7-6-,10-9-,13-12-,16-15-,19-18-.
What are the key properties of [(4Z,7Z,10Z,13Z,16Z)-icosa-4,7,10,13,16-pentaenyl] 2-methylpropanoate?
[(4Z,7Z,10Z,13Z,16Z)-icosa-4,7,10,13,16-pentaenyl] 2-methylpropanoate has a molecular weight of 358.57 g/mol, XLogP of 7.11, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z,7Z,10Z,13Z,16Z)-icosa-4,7,10,13,16-pentaenyl] 2-methylpropanoate is sourced from PubChem (CID 58579282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).