acetic acid;bis(ethenyl) dodecanedioate

C18H30O6 — CID 174577990

IUPACacetic acid;bis(ethenyl) dodecanedioate
SMILESC=COC(=O)CCCCCCCCCCC(=O)OC=C.CC(=O)O
InChIInChI=1S/C16H26O4.C2H4O2/c1-3-19-15(17)13-11-9-7-5-6-8-10-12-14-16(18)20-4-2;1-2(3)4/h3-4H,1-2,5-14H2;1H3,(H,3,4)
InChIKeyGLZRVKYDWLUYCS-UHFFFAOYSA-N
MW342.43 g/mol
LogP4.35
Rot. Bonds13

About acetic acid;bis(ethenyl) dodecanedioate

acetic acid;bis(ethenyl) dodecanedioate (PubChem CID 174577990) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is acetic acid;bis(ethenyl) dodecanedioate.

Molecular Properties

Compound Nameacetic acid;bis(ethenyl) dodecanedioate
PubChem CID174577990
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Nameacetic acid;bis(ethenyl) dodecanedioate
SMILESC=COC(=O)CCCCCCCCCCC(=O)OC=C.CC(=O)O
InChIInChI=1S/C16H26O4.C2H4O2/c1-3-19-15(17)13-11-9-7-5-6-8-10-12-14-16(18)20-4-2;1-2(3)4/h3-4H,1-2,5-14H2;1H3,(H,3,4)
InChIKeyGLZRVKYDWLUYCS-UHFFFAOYSA-N
XLogP4.35
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

acetic acid;ethenyl octadecanoate
CID 87067593
bis(ethenyl) hexanedioate
CID 19997
acetic acid;ethenyl 18-methylnonadecanoate
CID 174796049
acetic acid;ethenyl 16,16-dimethylheptadecanoate
CID 174796170
acetic acid;ethenyl 23,23-dimethyltetracosanoate
CID 174796140
30-ethenoxy-30-oxotriacontanoic acid
CID 139682683
11-ethenoxy-11-oxoundecanoic acid
CID 139682785
45-ethenoxy-45-oxopentatetracontanoic acid
CID 139682706
acetic acid;ethenyl 11-trimethoxysilylundecanoate
CID 174383709
ethenyl henpentacontanoate
CID 139683011
ethenyl heptatriacontanoate
CID 139682782
ethenyl octacosanoate
CID 54439588

Frequently Asked Questions

What is the IUPAC name of acetic acid;bis(ethenyl) dodecanedioate?
The IUPAC name of acetic acid;bis(ethenyl) dodecanedioate (CID 174577990) is acetic acid;bis(ethenyl) dodecanedioate.
What is the SMILES notation for acetic acid;bis(ethenyl) dodecanedioate?
The canonical SMILES for acetic acid;bis(ethenyl) dodecanedioate is C=COC(=O)CCCCCCCCCCC(=O)OC=C.CC(=O)O.
What is the InChIKey of acetic acid;bis(ethenyl) dodecanedioate?
The InChIKey is GLZRVKYDWLUYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4.C2H4O2/c1-3-19-15(17)13-11-9-7-5-6-8-10-12-14-16(18)20-4-2;1-2(3)4/h3-4H,1-2,5-14H2;1H3,(H,3,4).
What are the key properties of acetic acid;bis(ethenyl) dodecanedioate?
acetic acid;bis(ethenyl) dodecanedioate has a molecular weight of 342.43 g/mol, XLogP of 4.35, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis(ethenyl) dodecanedioate is sourced from PubChem (CID 174577990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).