dimethyl 2-methoxy-3-methylidenebutanedioate

C8H12O5 — CID 14064874

IUPACdimethyl 2-methoxy-3-methylidenebutanedioate
SMILESC=C(C(=O)OC)C(OC)C(=O)OC
InChIInChI=1S/C8H12O5/c1-5(7(9)12-3)6(11-2)8(10)13-4/h6H,1H2,2-4H3
InChIKeyOFKSPUQKYFBNKV-UHFFFAOYSA-N
MW188.18 g/mol
LogP-0.10
Rot. Bonds4

About dimethyl 2-methoxy-3-methylidenebutanedioate

dimethyl 2-methoxy-3-methylidenebutanedioate (PubChem CID 14064874) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is dimethyl 2-methoxy-3-methylidenebutanedioate.

Molecular Properties

Compound Namedimethyl 2-methoxy-3-methylidenebutanedioate
PubChem CID14064874
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Namedimethyl 2-methoxy-3-methylidenebutanedioate
SMILESC=C(C(=O)OC)C(OC)C(=O)OC
InChIInChI=1S/C8H12O5/c1-5(7(9)12-3)6(11-2)8(10)13-4/h6H,1H2,2-4H3
InChIKeyOFKSPUQKYFBNKV-UHFFFAOYSA-N
XLogP-0.10
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methoxy-3-methylidenebutanedioate?
The IUPAC name of dimethyl 2-methoxy-3-methylidenebutanedioate (CID 14064874) is dimethyl 2-methoxy-3-methylidenebutanedioate.
What is the SMILES notation for dimethyl 2-methoxy-3-methylidenebutanedioate?
The canonical SMILES for dimethyl 2-methoxy-3-methylidenebutanedioate is C=C(C(=O)OC)C(OC)C(=O)OC.
What is the InChIKey of dimethyl 2-methoxy-3-methylidenebutanedioate?
The InChIKey is OFKSPUQKYFBNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5/c1-5(7(9)12-3)6(11-2)8(10)13-4/h6H,1H2,2-4H3.
What are the key properties of dimethyl 2-methoxy-3-methylidenebutanedioate?
dimethyl 2-methoxy-3-methylidenebutanedioate has a molecular weight of 188.18 g/mol, XLogP of -0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methoxy-3-methylidenebutanedioate is sourced from PubChem (CID 14064874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).