(ethane-1,2-diol);ethene

C200H450O50 — CID 173372663

IUPAC(ethane-1,2-diol);ethene
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO
InChIInChI=1S/25C2H6O2.75C2H4/c25*3-1-2-4;75*1-2/h25*3-4H,1-2H2;75*1-2H2
InChIKeyIKYUNIDCEKIWLD-UHFFFAOYSA-N
MW3655.75 g/mol
LogP34.44
Rot. Bonds25

About (ethane-1,2-diol);ethene

(ethane-1,2-diol);ethene (PubChem CID 173372663) has the molecular formula C200H450O50 and a molecular weight of 3655.75 g/mol. Its IUPAC name is (ethane-1,2-diol);ethene.

Molecular Properties

Compound Name(ethane-1,2-diol);ethene
PubChem CID173372663
Molecular FormulaC200H450O50
Molecular Weight3655.75 g/mol
Exact Mass3653.27
IUPAC Name(ethane-1,2-diol);ethene
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO
InChIInChI=1S/25C2H6O2.75C2H4/c25*3-1-2-4;75*1-2/h25*3-4H,1-2H2;75*1-2H2
InChIKeyIKYUNIDCEKIWLD-UHFFFAOYSA-N
XLogP34.44
TPSA1011.50 Ų
H-Bond Donors50
H-Bond Acceptors50
Rotatable Bonds25
Heavy Atoms250
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003655.75
LogP ≤ 534.44
H-Bond Donors ≤ 550
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;ethene
CID 173008703
ethane-1,2-diol;ethene;methoxymethane
CID 173052211
ethane-1,2-diol;trihydrochloride
CID 172793976
ethane-1,2-diol;tetrahydrochloride
CID 19917613
ethane-1,2-diol;silane
CID 159802659
ethane-1,2-diol;dihydrochloride
CID 88711440
ethane-1,2-diol;palladium(2+)
CID 175783555
Ethylene glycol monosodium salt
CID 86592871
ethane-1,2-diol;rhenium
CID 175749522
ethane-1,2-diol;titanium(4+)
CID 21124602
CID 87524640
CID 87524640
bis(ethane-1,2-diol);ethene;tetrakis(prop-1-ene)
CID 173186866

Frequently Asked Questions

What is the IUPAC name of (ethane-1,2-diol);ethene?
The IUPAC name of (ethane-1,2-diol);ethene (CID 173372663) is (ethane-1,2-diol);ethene.
What is the SMILES notation for (ethane-1,2-diol);ethene?
The canonical SMILES for (ethane-1,2-diol);ethene is C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.OCCO.
What is the InChIKey of (ethane-1,2-diol);ethene?
The InChIKey is IKYUNIDCEKIWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/25C2H6O2.75C2H4/c25*3-1-2-4;75*1-2/h25*3-4H,1-2H2;75*1-2H2.
What are the key properties of (ethane-1,2-diol);ethene?
(ethane-1,2-diol);ethene has a molecular weight of 3655.75 g/mol, XLogP of 34.44, 25 rotatable bonds, 50 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for (ethane-1,2-diol);ethene is sourced from PubChem (CID 173372663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).