dimethyl 2-pent-1-en-3-ylpropanedioate

C10H16O4 — CID 13003954

IUPACdimethyl 2-pent-1-en-3-ylpropanedioate
SMILESC=CC(CC)C(C(=O)OC)C(=O)OC
InChIInChI=1S/C10H16O4/c1-5-7(6-2)8(9(11)13-3)10(12)14-4/h5,7-8H,1,6H2,2-4H3
InChIKeyFRZOSVGSWVHBEI-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.16
Rot. Bonds5

About dimethyl 2-pent-1-en-3-ylpropanedioate

dimethyl 2-pent-1-en-3-ylpropanedioate (PubChem CID 13003954) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is dimethyl 2-pent-1-en-3-ylpropanedioate.

Molecular Properties

Compound Namedimethyl 2-pent-1-en-3-ylpropanedioate
PubChem CID13003954
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namedimethyl 2-pent-1-en-3-ylpropanedioate
SMILESC=CC(CC)C(C(=O)OC)C(=O)OC
InChIInChI=1S/C10H16O4/c1-5-7(6-2)8(9(11)13-3)10(12)14-4/h5,7-8H,1,6H2,2-4H3
InChIKeyFRZOSVGSWVHBEI-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
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-pent-1-en-3-ylpropanedioate?
The IUPAC name of dimethyl 2-pent-1-en-3-ylpropanedioate (CID 13003954) is dimethyl 2-pent-1-en-3-ylpropanedioate.
What is the SMILES notation for dimethyl 2-pent-1-en-3-ylpropanedioate?
The canonical SMILES for dimethyl 2-pent-1-en-3-ylpropanedioate is C=CC(CC)C(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-pent-1-en-3-ylpropanedioate?
The InChIKey is FRZOSVGSWVHBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-7(6-2)8(9(11)13-3)10(12)14-4/h5,7-8H,1,6H2,2-4H3.
What are the key properties of dimethyl 2-pent-1-en-3-ylpropanedioate?
dimethyl 2-pent-1-en-3-ylpropanedioate has a molecular weight of 200.23 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-pent-1-en-3-ylpropanedioate is sourced from PubChem (CID 13003954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).