ethene;hexanedioic acid

C18H34O4 — CID 173462672

IUPACethene;hexanedioic acid
SMILESC=C.C=C.C=C.C=C.C=C.C=C.O=C(O)CCCCC(=O)O
InChIInChI=1S/C6H10O4.6C2H4/c7-5(8)3-1-2-4-6(9)10;6*1-2/h1-4H2,(H,7,8)(H,9,10);6*1-2H2
InChIKeyYFZMOUXOAWQSJA-UHFFFAOYSA-N
MW314.47 g/mol
LogP5.53
Rot. Bonds5

About ethene;hexanedioic acid

ethene;hexanedioic acid (PubChem CID 173462672) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is ethene;hexanedioic acid.

Molecular Properties

Compound Nameethene;hexanedioic acid
PubChem CID173462672
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Nameethene;hexanedioic acid
SMILESC=C.C=C.C=C.C=C.C=C.C=C.O=C(O)CCCCC(=O)O
InChIInChI=1S/C6H10O4.6C2H4/c7-5(8)3-1-2-4-6(9)10;6*1-2/h1-4H2,(H,7,8)(H,9,10);6*1-2H2
InChIKeyYFZMOUXOAWQSJA-UHFFFAOYSA-N
XLogP5.53
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 55.53
H-Bond Donors ≤ 52
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

heptakis(decanedioic acid);ethene
CID 173236204
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
azane;hexanedioic acid
CID 14323449
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252

Frequently Asked Questions

What is the IUPAC name of ethene;hexanedioic acid?
The IUPAC name of ethene;hexanedioic acid (CID 173462672) is ethene;hexanedioic acid.
What is the SMILES notation for ethene;hexanedioic acid?
The canonical SMILES for ethene;hexanedioic acid is C=C.C=C.C=C.C=C.C=C.C=C.O=C(O)CCCCC(=O)O.
What is the InChIKey of ethene;hexanedioic acid?
The InChIKey is YFZMOUXOAWQSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.6C2H4/c7-5(8)3-1-2-4-6(9)10;6*1-2/h1-4H2,(H,7,8)(H,9,10);6*1-2H2.
What are the key properties of ethene;hexanedioic acid?
ethene;hexanedioic acid has a molecular weight of 314.47 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;hexanedioic acid is sourced from PubChem (CID 173462672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).