dimethyl (2Z)-2-(2-methoxyprop-2-enylidene)pentanedioate

C11H16O5 — CID 87087254

IUPACdimethyl (2Z)-2-(2-methoxyprop-2-enylidene)pentanedioate
SMILESC=C(/C=C(/CCC(=O)OC)C(=O)OC)OC
InChIInChI=1S/C11H16O5/c1-8(14-2)7-9(11(13)16-4)5-6-10(12)15-3/h7H,1,5-6H2,2-4H3/b9-7-
InChIKeyNZWHZOJJBFSZQH-CLFYSBASSA-N
MW228.24 g/mol
LogP1.20
Rot. Bonds6

About dimethyl (2Z)-2-(2-methoxyprop-2-enylidene)pentanedioate

dimethyl (2Z)-2-(2-methoxyprop-2-enylidene)pentanedioate (PubChem CID 87087254) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is dimethyl (2Z)-2-(2-methoxyprop-2-enylidene)pentanedioate.

Molecular Properties

Compound Namedimethyl (2Z)-2-(2-methoxyprop-2-enylidene)pentanedioate
PubChem CID87087254
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namedimethyl (2Z)-2-(2-methoxyprop-2-enylidene)pentanedioate
SMILESC=C(/C=C(/CCC(=O)OC)C(=O)OC)OC
InChIInChI=1S/C11H16O5/c1-8(14-2)7-9(11(13)16-4)5-6-10(12)15-3/h7H,1,5-6H2,2-4H3/b9-7-
InChIKeyNZWHZOJJBFSZQH-CLFYSBASSA-N
XLogP1.20
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2Z)-2-(2-methoxyprop-2-enylidene)pentanedioate?
The IUPAC name of dimethyl (2Z)-2-(2-methoxyprop-2-enylidene)pentanedioate (CID 87087254) is dimethyl (2Z)-2-(2-methoxyprop-2-enylidene)pentanedioate.
What is the SMILES notation for dimethyl (2Z)-2-(2-methoxyprop-2-enylidene)pentanedioate?
The canonical SMILES for dimethyl (2Z)-2-(2-methoxyprop-2-enylidene)pentanedioate is C=C(/C=C(/CCC(=O)OC)C(=O)OC)OC.
What is the InChIKey of dimethyl (2Z)-2-(2-methoxyprop-2-enylidene)pentanedioate?
The InChIKey is NZWHZOJJBFSZQH-CLFYSBASSA-N. The full InChI is InChI=1S/C11H16O5/c1-8(14-2)7-9(11(13)16-4)5-6-10(12)15-3/h7H,1,5-6H2,2-4H3/b9-7-.
What are the key properties of dimethyl (2Z)-2-(2-methoxyprop-2-enylidene)pentanedioate?
dimethyl (2Z)-2-(2-methoxyprop-2-enylidene)pentanedioate has a molecular weight of 228.24 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2Z)-2-(2-methoxyprop-2-enylidene)pentanedioate is sourced from PubChem (CID 87087254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).