methyl (Z)-dotriacont-15-enoate

C33H64O2 — CID 100966062

IUPACmethyl (Z)-dotriacont-15-enoate
SMILESCCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC
InChIInChI=1S/C33H64O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(34)35-2/h18-19H,3-17,20-32H2,1-2H3/b19-18-
InChIKeyWRRGDXITOYEVJV-HNENSFHCSA-N
MW492.87 g/mol
LogP11.66
Rot. Bonds29

About methyl (Z)-dotriacont-15-enoate

methyl (Z)-dotriacont-15-enoate (PubChem CID 100966062) has the molecular formula C33H64O2 and a molecular weight of 492.87 g/mol. Its IUPAC name is methyl (Z)-dotriacont-15-enoate.

Molecular Properties

Compound Namemethyl (Z)-dotriacont-15-enoate
PubChem CID100966062
Molecular FormulaC33H64O2
Molecular Weight492.87 g/mol
Exact Mass492.49
IUPAC Namemethyl (Z)-dotriacont-15-enoate
SMILESCCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC
InChIInChI=1S/C33H64O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(34)35-2/h18-19H,3-17,20-32H2,1-2H3/b19-18-
InChIKeyWRRGDXITOYEVJV-HNENSFHCSA-N
XLogP11.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.87
LogP ≤ 511.66
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'}

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Related Compounds

methyl octadec-7-enoate
CID 543314
methyl (Z)-octadec-12-enoate
CID 12963317
methyl (Z)-octadec-9-enoate
CID 5364509
methyl (E)-octadec-7-enoate
CID 5364440
methyl (E)-octadec-12-enoate
CID 5364503
methyl (Z)-octadec-9-enoate;phosphane
CID 175307960
methyl dodec-5-enoate
CID 86010951
methyl (E)-hexadec-11-enoate
CID 5364696
methyl (8E,11E)-icosa-8,11-dienoate
CID 5365673
methyl octadeca-6,9-dienoate
CID 549027
acetaldehyde;methyl nonadecanoate;methyl (E)-nonadec-10-enoate;methyl octadecanoate;methyl (Z)-octadec-9-enoate
CID 161011113
methyl icosa-8,11,14-trienoate
CID 519411

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-dotriacont-15-enoate?
The IUPAC name of methyl (Z)-dotriacont-15-enoate (CID 100966062) is methyl (Z)-dotriacont-15-enoate.
What is the SMILES notation for methyl (Z)-dotriacont-15-enoate?
The canonical SMILES for methyl (Z)-dotriacont-15-enoate is CCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC.
What is the InChIKey of methyl (Z)-dotriacont-15-enoate?
The InChIKey is WRRGDXITOYEVJV-HNENSFHCSA-N. The full InChI is InChI=1S/C33H64O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(34)35-2/h18-19H,3-17,20-32H2,1-2H3/b19-18-.
What are the key properties of methyl (Z)-dotriacont-15-enoate?
methyl (Z)-dotriacont-15-enoate has a molecular weight of 492.87 g/mol, XLogP of 11.66, 29 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-dotriacont-15-enoate is sourced from PubChem (CID 100966062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).