methyl (5Z,8Z,11Z,14Z)-17,17-dimethylhenicosa-5,8,11,14-tetraenoate

C24H40O2 — CID 10546480

IUPACmethyl (5Z,8Z,11Z,14Z)-17,17-dimethylhenicosa-5,8,11,14-tetraenoate
SMILESCCCCC(C)(C)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC
InChIInChI=1S/C24H40O2/c1-5-6-21-24(2,3)22-19-17-15-13-11-9-7-8-10-12-14-16-18-20-23(25)26-4/h7-8,11-14,17,19H,5-6,9-10,15-16,18,20-22H2,1-4H3/b8-7-,13-11-,14-12-,19-17-
InChIKeyVEDUNIQNULIOKT-IMVHRVRFSA-N
MW360.58 g/mol
LogP7.33
Rot. Bonds15

About methyl (5Z,8Z,11Z,14Z)-17,17-dimethylhenicosa-5,8,11,14-tetraenoate

methyl (5Z,8Z,11Z,14Z)-17,17-dimethylhenicosa-5,8,11,14-tetraenoate (PubChem CID 10546480) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is methyl (5Z,8Z,11Z,14Z)-17,17-dimethylhenicosa-5,8,11,14-tetraenoate.

Molecular Properties

Compound Namemethyl (5Z,8Z,11Z,14Z)-17,17-dimethylhenicosa-5,8,11,14-tetraenoate
PubChem CID10546480
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Namemethyl (5Z,8Z,11Z,14Z)-17,17-dimethylhenicosa-5,8,11,14-tetraenoate
SMILESCCCCC(C)(C)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC
InChIInChI=1S/C24H40O2/c1-5-6-21-24(2,3)22-19-17-15-13-11-9-7-8-10-12-14-16-18-20-23(25)26-4/h7-8,11-14,17,19H,5-6,9-10,15-16,18,20-22H2,1-4H3/b8-7-,13-11-,14-12-,19-17-
InChIKeyVEDUNIQNULIOKT-IMVHRVRFSA-N
XLogP7.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 57.33
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 methyl (5Z,8Z,11Z,14Z)-17,17-dimethylhenicosa-5,8,11,14-tetraenoate with MolForge

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Related Compounds

methyl (5Z)-icosa-5,8,11,14-tetraenoate
CID 141409710
methyl (5E,8E,11E,14E)-10,10-dimethylicosa-5,8,11,14-tetraenoate
CID 88722092
methyl dec-5-enoate
CID 54534253
methyl 7,7-dimethylicosa-5,8,11,14-tetraenoate
CID 54043978
methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate;hydrochloride
CID 162316575
methyl icosa-8,11,14-trienoate
CID 519411
methyl octadeca-6,9-dienoate
CID 549027
methyl (8E,11E)-icosa-8,11-dienoate
CID 5365673
methyl (13Z,16E)-docosa-13,16-dienoate
CID 53249651
methyl (5E,8E)-undeca-5,8-dienoate
CID 102118348
methyl (Z)-undec-5-enoate
CID 11469683
methyl (7Z,11Z,14Z)-icosa-7,11,14-trienoate
CID 91694374

Frequently Asked Questions

What is the IUPAC name of methyl (5Z,8Z,11Z,14Z)-17,17-dimethylhenicosa-5,8,11,14-tetraenoate?
The IUPAC name of methyl (5Z,8Z,11Z,14Z)-17,17-dimethylhenicosa-5,8,11,14-tetraenoate (CID 10546480) is methyl (5Z,8Z,11Z,14Z)-17,17-dimethylhenicosa-5,8,11,14-tetraenoate.
What is the SMILES notation for methyl (5Z,8Z,11Z,14Z)-17,17-dimethylhenicosa-5,8,11,14-tetraenoate?
The canonical SMILES for methyl (5Z,8Z,11Z,14Z)-17,17-dimethylhenicosa-5,8,11,14-tetraenoate is CCCCC(C)(C)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC.
What is the InChIKey of methyl (5Z,8Z,11Z,14Z)-17,17-dimethylhenicosa-5,8,11,14-tetraenoate?
The InChIKey is VEDUNIQNULIOKT-IMVHRVRFSA-N. The full InChI is InChI=1S/C24H40O2/c1-5-6-21-24(2,3)22-19-17-15-13-11-9-7-8-10-12-14-16-18-20-23(25)26-4/h7-8,11-14,17,19H,5-6,9-10,15-16,18,20-22H2,1-4H3/b8-7-,13-11-,14-12-,19-17-.
What are the key properties of methyl (5Z,8Z,11Z,14Z)-17,17-dimethylhenicosa-5,8,11,14-tetraenoate?
methyl (5Z,8Z,11Z,14Z)-17,17-dimethylhenicosa-5,8,11,14-tetraenoate has a molecular weight of 360.58 g/mol, XLogP of 7.33, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5Z,8Z,11Z,14Z)-17,17-dimethylhenicosa-5,8,11,14-tetraenoate is sourced from PubChem (CID 10546480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).