1,1-diethoxyethene;ethane-1,2-diol

C8H18O4 — CID 88771000

IUPAC1,1-diethoxyethene;ethane-1,2-diol
SMILESC=C(OCC)OCC.OCCO
InChIInChI=1S/C6H12O2.C2H6O2/c1-4-7-6(3)8-5-2;3-1-2-4/h3-5H2,1-2H3;3-4H,1-2H2
InChIKeyXPLOFRHWHJQZKJ-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.50
Rot. Bonds5

About 1,1-diethoxyethene;ethane-1,2-diol

1,1-diethoxyethene;ethane-1,2-diol (PubChem CID 88771000) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1,1-diethoxyethene;ethane-1,2-diol.

Molecular Properties

Compound Name1,1-diethoxyethene;ethane-1,2-diol
PubChem CID88771000
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name1,1-diethoxyethene;ethane-1,2-diol
SMILESC=C(OCC)OCC.OCCO
InChIInChI=1S/C6H12O2.C2H6O2/c1-4-7-6(3)8-5-2;3-1-2-4/h3-5H2,1-2H3;3-4H,1-2H2
InChIKeyXPLOFRHWHJQZKJ-UHFFFAOYSA-N
XLogP0.50
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

CID 19771158
CID 19771158
diethyl carbonate;ethane-1,2-diol
CID 19764063
ethane-1,2-diol;ethene;ethoxyethane
CID 173171004
ethane-1,2-diol;ethene;ethoxyethane
CID 173009607
tris(ethane-1,2-diol);ethoxyethane
CID 173395808
ethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide
CID 135223256
tetrakis(ethane-1,2-diol);2-methylprop-1-ene
CID 173101980
1-ethoxyethenyl 2-chloroprop-2-enoate
CID 170164191
copper(1+);1-ethoxyethenolate
CID 73187688
tris(1-ethoxyethenyl)indigane
CID 177444077
(3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene
CID 145009677
2-chloro-3-ethoxybuta-1,3-diene
CID 102247502

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyethene;ethane-1,2-diol?
The IUPAC name of 1,1-diethoxyethene;ethane-1,2-diol (CID 88771000) is 1,1-diethoxyethene;ethane-1,2-diol.
What is the SMILES notation for 1,1-diethoxyethene;ethane-1,2-diol?
The canonical SMILES for 1,1-diethoxyethene;ethane-1,2-diol is C=C(OCC)OCC.OCCO.
What is the InChIKey of 1,1-diethoxyethene;ethane-1,2-diol?
The InChIKey is XPLOFRHWHJQZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C2H6O2/c1-4-7-6(3)8-5-2;3-1-2-4/h3-5H2,1-2H3;3-4H,1-2H2.
What are the key properties of 1,1-diethoxyethene;ethane-1,2-diol?
1,1-diethoxyethene;ethane-1,2-diol has a molecular weight of 178.23 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethene;ethane-1,2-diol is sourced from PubChem (CID 88771000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).