bis(ethenyl) hexanedioate

C10H14O4 — CID 19997

IUPACbis(ethenyl) hexanedioate
SMILESC=COC(=O)CCCCC(=O)OC=C
InChIInChI=1S/C10H14O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-4H,1-2,5-8H2
InChIKeyJZQAAQZDDMEFGZ-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.92
Rot. Bonds7

About bis(ethenyl) hexanedioate

bis(ethenyl) hexanedioate (PubChem CID 19997) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is bis(ethenyl) hexanedioate.

Molecular Properties

Compound Namebis(ethenyl) hexanedioate
PubChem CID19997
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namebis(ethenyl) hexanedioate
SMILESC=COC(=O)CCCCC(=O)OC=C
InChIInChI=1S/C10H14O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-4H,1-2,5-8H2
InChIKeyJZQAAQZDDMEFGZ-UHFFFAOYSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

30-ethenoxy-30-oxotriacontanoic acid
CID 139682683
11-ethenoxy-11-oxoundecanoic acid
CID 139682785
45-ethenoxy-45-oxopentatetracontanoic acid
CID 139682706
acetic acid;bis(ethenyl) dodecanedioate
CID 174577990
ethenyl 16-hydroxyhexadecanoate
CID 88593683
ethenyl 6-hydroxyhexanoate
CID 88593109
ethenyl octacosanoate
CID 54439588
10-O-ethenyl 1-O-prop-2-enyl decanedioate
CID 87433585
ethenyl heptatriacontanoate
CID 139682782
ethenyl tetracontanoate
CID 139682936
ethenyl henpentacontanoate
CID 139683011
ethenyl butanoate;ethenyl octadecanoate
CID 161122383

Frequently Asked Questions

What is the IUPAC name of bis(ethenyl) hexanedioate?
The IUPAC name of bis(ethenyl) hexanedioate (CID 19997) is bis(ethenyl) hexanedioate.
What is the SMILES notation for bis(ethenyl) hexanedioate?
The canonical SMILES for bis(ethenyl) hexanedioate is C=COC(=O)CCCCC(=O)OC=C.
What is the InChIKey of bis(ethenyl) hexanedioate?
The InChIKey is JZQAAQZDDMEFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-4H,1-2,5-8H2.
What are the key properties of bis(ethenyl) hexanedioate?
bis(ethenyl) hexanedioate has a molecular weight of 198.22 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethenyl) hexanedioate is sourced from PubChem (CID 19997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).