30-ethenoxy-30-oxotriacontanoic acid

C32H60O4 — CID 139682683

IUPAC30-ethenoxy-30-oxotriacontanoic acid
SMILESC=COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C32H60O4/c1-2-36-32(35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)34/h2H,1,3-30H2,(H,33,34)
InChIKeyKWXBHHBGWJZXGZ-UHFFFAOYSA-N
MW508.83 g/mol
LogP10.68
Rot. Bonds30

About 30-ethenoxy-30-oxotriacontanoic acid

30-ethenoxy-30-oxotriacontanoic acid (PubChem CID 139682683) has the molecular formula C32H60O4 and a molecular weight of 508.83 g/mol. Its IUPAC name is 30-ethenoxy-30-oxotriacontanoic acid.

Molecular Properties

Compound Name30-ethenoxy-30-oxotriacontanoic acid
PubChem CID139682683
Molecular FormulaC32H60O4
Molecular Weight508.83 g/mol
Exact Mass508.45
IUPAC Name30-ethenoxy-30-oxotriacontanoic acid
SMILESC=COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C32H60O4/c1-2-36-32(35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)34/h2H,1,3-30H2,(H,33,34)
InChIKeyKWXBHHBGWJZXGZ-UHFFFAOYSA-N
XLogP10.68
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.83
LogP ≤ 510.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-ethenoxy-11-oxoundecanoic acid
CID 139682785
45-ethenoxy-45-oxopentatetracontanoic acid
CID 139682706
bis(ethenyl) hexanedioate
CID 19997
acetic acid;bis(ethenyl) dodecanedioate
CID 174577990
ethenyl 16-hydroxyhexadecanoate
CID 88593683
ethenyl 6-hydroxyhexanoate
CID 88593109
ethenyl heptatriacontanoate
CID 139682782
ethenyl tetracontanoate
CID 139682936
ethenyl octacosanoate
CID 54439588
8-oxo-8-prop-2-enoxyoctanoic acid
CID 71357331
ethenyl henpentacontanoate
CID 139683011
acetic acid;ethenyl octadecanoate
CID 87067593

Frequently Asked Questions

What is the IUPAC name of 30-ethenoxy-30-oxotriacontanoic acid?
The IUPAC name of 30-ethenoxy-30-oxotriacontanoic acid (CID 139682683) is 30-ethenoxy-30-oxotriacontanoic acid.
What is the SMILES notation for 30-ethenoxy-30-oxotriacontanoic acid?
The canonical SMILES for 30-ethenoxy-30-oxotriacontanoic acid is C=COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 30-ethenoxy-30-oxotriacontanoic acid?
The InChIKey is KWXBHHBGWJZXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60O4/c1-2-36-32(35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)34/h2H,1,3-30H2,(H,33,34).
What are the key properties of 30-ethenoxy-30-oxotriacontanoic acid?
30-ethenoxy-30-oxotriacontanoic acid has a molecular weight of 508.83 g/mol, XLogP of 10.68, 30 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 30-ethenoxy-30-oxotriacontanoic acid is sourced from PubChem (CID 139682683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).