4-ethenyloctanedioate

C10H14O4-2 — CID 18371106

IUPAC4-ethenyloctanedioate
SMILESC=CC(CCCC(=O)[O-])CCC(=O)[O-]
InChIInChI=1S/C10H16O4/c1-2-8(6-7-10(13)14)4-3-5-9(11)12/h2,8H,1,3-7H2,(H,11,12)(H,13,14)/p-2
InChIKeyIXSJMKYVUBOOAU-UHFFFAOYSA-L
MW198.22 g/mol
LogP-0.76
Rot. Bonds8

About 4-ethenyloctanedioate

4-ethenyloctanedioate (PubChem CID 18371106) has the molecular formula C10H14O4-2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-ethenyloctanedioate.

Molecular Properties

Compound Name4-ethenyloctanedioate
PubChem CID18371106
Molecular FormulaC10H14O4-2
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name4-ethenyloctanedioate
SMILESC=CC(CCCC(=O)[O-])CCC(=O)[O-]
InChIInChI=1S/C10H16O4/c1-2-8(6-7-10(13)14)4-3-5-9(11)12/h2,8H,1,3-7H2,(H,11,12)(H,13,14)/p-2
InChIKeyIXSJMKYVUBOOAU-UHFFFAOYSA-L
XLogP-0.76
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-azaniumylhex-5-enoate
CID 15871347
6-methyloct-7-enoate
CID 140706101
(5R)-5-hydroxyhexanoate
CID 7131042
sodium 5-methylhexanoate
CID 58914873
5-hydroxy-6-methylhept-6-enoate
CID 22417307
calcium;decanedioate;prop-2-enoic acid
CID 157321777
(2S)-2-aminohexanedioate
CID 5460399
cadmium(2+);hexanedioate
CID 19376883
magnesium hexanedioate
CID 24074
strontium hexanedioate
CID 134687758
bis(antimony(3+));tris(pentanedioate)
CID 19376891
cadmium(2+);pentanedioate
CID 19376914

Frequently Asked Questions

What is the IUPAC name of 4-ethenyloctanedioate?
The IUPAC name of 4-ethenyloctanedioate (CID 18371106) is 4-ethenyloctanedioate.
What is the SMILES notation for 4-ethenyloctanedioate?
The canonical SMILES for 4-ethenyloctanedioate is C=CC(CCCC(=O)[O-])CCC(=O)[O-].
What is the InChIKey of 4-ethenyloctanedioate?
The InChIKey is IXSJMKYVUBOOAU-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H16O4/c1-2-8(6-7-10(13)14)4-3-5-9(11)12/h2,8H,1,3-7H2,(H,11,12)(H,13,14)/p-2.
What are the key properties of 4-ethenyloctanedioate?
4-ethenyloctanedioate has a molecular weight of 198.22 g/mol, XLogP of -0.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyloctanedioate is sourced from PubChem (CID 18371106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).