1,1-diethoxyethane;ethenyl acetate

C10H20O4 — CID 88506327

IUPAC1,1-diethoxyethane;ethenyl acetate
SMILESC=COC(C)=O.CCOC(C)OCC
InChIInChI=1S/C6H14O2.C4H6O2/c1-4-7-6(3)8-5-2;1-3-6-4(2)5/h6H,4-5H2,1-3H3;3H,1H2,2H3
InChIKeyPTEULIVTFLOOES-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.10
Rot. Bonds5

About 1,1-diethoxyethane;ethenyl acetate

1,1-diethoxyethane;ethenyl acetate (PubChem CID 88506327) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1,1-diethoxyethane;ethenyl acetate.

Molecular Properties

Compound Name1,1-diethoxyethane;ethenyl acetate
PubChem CID88506327
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name1,1-diethoxyethane;ethenyl acetate
SMILESC=COC(C)=O.CCOC(C)OCC
InChIInChI=1S/C6H14O2.C4H6O2/c1-4-7-6(3)8-5-2;1-3-6-4(2)5/h6H,4-5H2,1-3H3;3H,1H2,2H3
InChIKeyPTEULIVTFLOOES-UHFFFAOYSA-N
XLogP2.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethanol;ethenyl acetate
CID 87099759
ethenyl acetate
CID 7904
dichloromethane;ethenyl acetate
CID 86614662
ethane;ethenyl acetate;2-methylbutanoic acid
CID 174248174
carbonic acid;1,1-diethoxyethane
CID 87827362
ethene;ethenyl acetate;hydrofluoride
CID 158693082
ethenyl acetate;heptane
CID 19104449
ethenyl acetate;octadecane
CID 161470611
carbonic acid;diethyl carbonate;ethenyl acetate
CID 174977930
ethene;ethenyl acetate;2-hydroxypropanoic acid
CID 174695365
ethenyl acetate;methoxyethene
CID 18921270
ethenyl acetate;formic acid
CID 175608061

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyethane;ethenyl acetate?
The IUPAC name of 1,1-diethoxyethane;ethenyl acetate (CID 88506327) is 1,1-diethoxyethane;ethenyl acetate.
What is the SMILES notation for 1,1-diethoxyethane;ethenyl acetate?
The canonical SMILES for 1,1-diethoxyethane;ethenyl acetate is C=COC(C)=O.CCOC(C)OCC.
What is the InChIKey of 1,1-diethoxyethane;ethenyl acetate?
The InChIKey is PTEULIVTFLOOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C4H6O2/c1-4-7-6(3)8-5-2;1-3-6-4(2)5/h6H,4-5H2,1-3H3;3H,1H2,2H3.
What are the key properties of 1,1-diethoxyethane;ethenyl acetate?
1,1-diethoxyethane;ethenyl acetate has a molecular weight of 204.27 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethane;ethenyl acetate is sourced from PubChem (CID 88506327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).