dimethyl 2-[(Z)-pent-2-enyl]propanedioate

C10H16O4 — CID 11367650

IUPACdimethyl 2-[(Z)-pent-2-enyl]propanedioate
SMILESCC/C=C\CC(C(=O)OC)C(=O)OC
InChIInChI=1S/C10H16O4/c1-4-5-6-7-8(9(11)13-2)10(12)14-3/h5-6,8H,4,7H2,1-3H3/b6-5-
InChIKeyIDWYQRIXZCMPFU-WAYWQWQTSA-N
MW200.23 g/mol
LogP1.30
Rot. Bonds5

About dimethyl 2-[(Z)-pent-2-enyl]propanedioate

dimethyl 2-[(Z)-pent-2-enyl]propanedioate (PubChem CID 11367650) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is dimethyl 2-[(Z)-pent-2-enyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(Z)-pent-2-enyl]propanedioate
PubChem CID11367650
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namedimethyl 2-[(Z)-pent-2-enyl]propanedioate
SMILESCC/C=C\CC(C(=O)OC)C(=O)OC
InChIInChI=1S/C10H16O4/c1-4-5-6-7-8(9(11)13-2)10(12)14-3/h5-6,8H,4,7H2,1-3H3/b6-5-
InChIKeyIDWYQRIXZCMPFU-WAYWQWQTSA-N
XLogP1.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(Z)-pent-2-enyl]propanedioate?
The IUPAC name of dimethyl 2-[(Z)-pent-2-enyl]propanedioate (CID 11367650) is dimethyl 2-[(Z)-pent-2-enyl]propanedioate.
What is the SMILES notation for dimethyl 2-[(Z)-pent-2-enyl]propanedioate?
The canonical SMILES for dimethyl 2-[(Z)-pent-2-enyl]propanedioate is CC/C=C\CC(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-[(Z)-pent-2-enyl]propanedioate?
The InChIKey is IDWYQRIXZCMPFU-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-5-6-7-8(9(11)13-2)10(12)14-3/h5-6,8H,4,7H2,1-3H3/b6-5-.
What are the key properties of dimethyl 2-[(Z)-pent-2-enyl]propanedioate?
dimethyl 2-[(Z)-pent-2-enyl]propanedioate has a molecular weight of 200.23 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(Z)-pent-2-enyl]propanedioate is sourced from PubChem (CID 11367650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).