ethyl 3,3-diethoxy-2-methylprop-2-enoate

C10H18O4 — CID 19845599

IUPACethyl 3,3-diethoxy-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=C(OCC)OCC
InChIInChI=1S/C10H18O4/c1-5-12-9(11)8(4)10(13-6-2)14-7-3/h5-7H2,1-4H3
InChIKeyLPPVAJZFBJNEFO-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.85
Rot. Bonds6

About ethyl 3,3-diethoxy-2-methylprop-2-enoate

ethyl 3,3-diethoxy-2-methylprop-2-enoate (PubChem CID 19845599) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 3,3-diethoxy-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3,3-diethoxy-2-methylprop-2-enoate
PubChem CID19845599
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 3,3-diethoxy-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=C(OCC)OCC
InChIInChI=1S/C10H18O4/c1-5-12-9(11)8(4)10(13-6-2)14-7-3/h5-7H2,1-4H3
InChIKeyLPPVAJZFBJNEFO-UHFFFAOYSA-N
XLogP1.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-diethoxy-2-methylprop-2-enoate?
The IUPAC name of ethyl 3,3-diethoxy-2-methylprop-2-enoate (CID 19845599) is ethyl 3,3-diethoxy-2-methylprop-2-enoate.
What is the SMILES notation for ethyl 3,3-diethoxy-2-methylprop-2-enoate?
The canonical SMILES for ethyl 3,3-diethoxy-2-methylprop-2-enoate is CCOC(=O)C(C)=C(OCC)OCC.
What is the InChIKey of ethyl 3,3-diethoxy-2-methylprop-2-enoate?
The InChIKey is LPPVAJZFBJNEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-5-12-9(11)8(4)10(13-6-2)14-7-3/h5-7H2,1-4H3.
What are the key properties of ethyl 3,3-diethoxy-2-methylprop-2-enoate?
ethyl 3,3-diethoxy-2-methylprop-2-enoate has a molecular weight of 202.25 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-diethoxy-2-methylprop-2-enoate is sourced from PubChem (CID 19845599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).