2-ethoxyethenyl acetate

C6H10O3 — CID 548203

IUPAC2-ethoxyethenyl acetate
SMILESCCOC=COC(C)=O
InChIInChI=1S/C6H10O3/c1-3-8-4-5-9-6(2)7/h4-5H,3H2,1-2H3
InChIKeyRDQQZSMXQAMRFQ-UHFFFAOYSA-N
MW130.14 g/mol
LogP1.06
Rot. Bonds3

About 2-ethoxyethenyl acetate

2-ethoxyethenyl acetate (PubChem CID 548203) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-ethoxyethenyl acetate.

Molecular Properties

Compound Name2-ethoxyethenyl acetate
PubChem CID548203
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-ethoxyethenyl acetate
SMILESCCOC=COC(C)=O
InChIInChI=1S/C6H10O3/c1-3-8-4-5-9-6(2)7/h4-5H,3H2,1-2H3
InChIKeyRDQQZSMXQAMRFQ-UHFFFAOYSA-N
XLogP1.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

but-1-enyl acetate;hydrofluoride
CID 172761898
[(E)-prop-1-enyl] acetate
CID 637917
(3E)-1,4-diethoxybuta-1,3-diene
CID 173199605
ethenyl (E)-3-ethoxyprop-2-enoate
CID 142695290
6-chlorohexa-1,3,5-trienyl acetate
CID 174570598
ethanol;3-ethoxyprop-2-enoic acid
CID 173210904
ethanol;3-ethoxyprop-2-enoic acid
CID 173050245
[(E)-3-hydroperoxyprop-1-enyl] acetate
CID 23268909
[(E)-hexadec-1-enyl] acetate
CID 5376351
nona-1,6-dienyl acetate
CID 91219371
(4-ethyl-4-methylhex-1-enyl) acetate
CID 175199082
octa-1,3-dienyl acetate
CID 54107935

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethenyl acetate?
The IUPAC name of 2-ethoxyethenyl acetate (CID 548203) is 2-ethoxyethenyl acetate.
What is the SMILES notation for 2-ethoxyethenyl acetate?
The canonical SMILES for 2-ethoxyethenyl acetate is CCOC=COC(C)=O.
What is the InChIKey of 2-ethoxyethenyl acetate?
The InChIKey is RDQQZSMXQAMRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-8-4-5-9-6(2)7/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethoxyethenyl acetate?
2-ethoxyethenyl acetate has a molecular weight of 130.14 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethenyl acetate is sourced from PubChem (CID 548203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).