ethenyl 30-methylhentriacontanoate

C34H66O2 — CID 141448454

IUPACethenyl 30-methylhentriacontanoate
SMILESC=COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C34H66O2/c1-4-36-34(35)32-30-28-26-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(2)3/h4,33H,1,5-32H2,2-3H3
InChIKeyIDBSIMJSOXRCCO-UHFFFAOYSA-N
MW506.90 g/mol
LogP12.25
Rot. Bonds30

About ethenyl 30-methylhentriacontanoate

ethenyl 30-methylhentriacontanoate (PubChem CID 141448454) has the molecular formula C34H66O2 and a molecular weight of 506.90 g/mol. Its IUPAC name is ethenyl 30-methylhentriacontanoate.

Molecular Properties

Compound Nameethenyl 30-methylhentriacontanoate
PubChem CID141448454
Molecular FormulaC34H66O2
Molecular Weight506.90 g/mol
Exact Mass506.51
IUPAC Nameethenyl 30-methylhentriacontanoate
SMILESC=COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C34H66O2/c1-4-36-34(35)32-30-28-26-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(2)3/h4,33H,1,5-32H2,2-3H3
InChIKeyIDBSIMJSOXRCCO-UHFFFAOYSA-N
XLogP12.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.90
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethenyl 30-methylhentriacontanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;ethenyl 18-methylnonadecanoate
CID 174796049
bis(ethenyl) hexanedioate
CID 19997
acetic acid;bis(ethenyl) dodecanedioate
CID 174577990
ethenyl tetracontanoate
CID 139682936
ethenyl henpentacontanoate
CID 139683011
7-methyloctanoyl 16-methylheptadecanoate
CID 140995309
30-ethenoxy-30-oxotriacontanoic acid
CID 139682683
ethenyl 16-hydroxyhexadecanoate
CID 88593683
methyl 21-methyldocosanoate
CID 14178788
ethenyl 6-hydroxyhexanoate
CID 88593109
ethenyl butanoate;ethenyl octadecanoate
CID 161122383
10-O-ethenyl 1-O-prop-2-enyl decanedioate
CID 87433585

Frequently Asked Questions

What is the IUPAC name of ethenyl 30-methylhentriacontanoate?
The IUPAC name of ethenyl 30-methylhentriacontanoate (CID 141448454) is ethenyl 30-methylhentriacontanoate.
What is the SMILES notation for ethenyl 30-methylhentriacontanoate?
The canonical SMILES for ethenyl 30-methylhentriacontanoate is C=COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C.
What is the InChIKey of ethenyl 30-methylhentriacontanoate?
The InChIKey is IDBSIMJSOXRCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66O2/c1-4-36-34(35)32-30-28-26-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(2)3/h4,33H,1,5-32H2,2-3H3.
What are the key properties of ethenyl 30-methylhentriacontanoate?
ethenyl 30-methylhentriacontanoate has a molecular weight of 506.90 g/mol, XLogP of 12.25, 30 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 30-methylhentriacontanoate is sourced from PubChem (CID 141448454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).