dimethyl 3-(2-methoxy-2-oxoethyl)pent-2-enedioate

C10H14O6 — CID 12053850

IUPACdimethyl 3-(2-methoxy-2-oxoethyl)pent-2-enedioate
SMILESCOC(=O)C=C(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C10H14O6/c1-14-8(11)4-7(5-9(12)15-2)6-10(13)16-3/h4H,5-6H2,1-3H3
InChIKeyFUDUXZMTENOEBT-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.21
Rot. Bonds5

About dimethyl 3-(2-methoxy-2-oxoethyl)pent-2-enedioate

dimethyl 3-(2-methoxy-2-oxoethyl)pent-2-enedioate (PubChem CID 12053850) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is dimethyl 3-(2-methoxy-2-oxoethyl)pent-2-enedioate.

Molecular Properties

Compound Namedimethyl 3-(2-methoxy-2-oxoethyl)pent-2-enedioate
PubChem CID12053850
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Namedimethyl 3-(2-methoxy-2-oxoethyl)pent-2-enedioate
SMILESCOC(=O)C=C(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C10H14O6/c1-14-8(11)4-7(5-9(12)15-2)6-10(13)16-3/h4H,5-6H2,1-3H3
InChIKeyFUDUXZMTENOEBT-UHFFFAOYSA-N
XLogP0.21
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(2-methoxy-2-oxoethyl)pent-2-enedioate?
The IUPAC name of dimethyl 3-(2-methoxy-2-oxoethyl)pent-2-enedioate (CID 12053850) is dimethyl 3-(2-methoxy-2-oxoethyl)pent-2-enedioate.
What is the SMILES notation for dimethyl 3-(2-methoxy-2-oxoethyl)pent-2-enedioate?
The canonical SMILES for dimethyl 3-(2-methoxy-2-oxoethyl)pent-2-enedioate is COC(=O)C=C(CC(=O)OC)CC(=O)OC.
What is the InChIKey of dimethyl 3-(2-methoxy-2-oxoethyl)pent-2-enedioate?
The InChIKey is FUDUXZMTENOEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-14-8(11)4-7(5-9(12)15-2)6-10(13)16-3/h4H,5-6H2,1-3H3.
What are the key properties of dimethyl 3-(2-methoxy-2-oxoethyl)pent-2-enedioate?
dimethyl 3-(2-methoxy-2-oxoethyl)pent-2-enedioate has a molecular weight of 230.22 g/mol, XLogP of 0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(2-methoxy-2-oxoethyl)pent-2-enedioate is sourced from PubChem (CID 12053850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).