prop-2-enyl 2,2-dichloropent-4-enoate

C8H10Cl2O2 — CID 71333922

IUPACprop-2-enyl 2,2-dichloropent-4-enoate
SMILESC=CCOC(=O)C(Cl)(Cl)CC=C
InChIInChI=1S/C8H10Cl2O2/c1-3-5-8(9,10)7(11)12-6-4-2/h3-4H,1-2,5-6H2
InChIKeyMNCYYBVXQINYRJ-UHFFFAOYSA-N
MW209.07 g/mol
LogP2.47
Rot. Bonds5

About prop-2-enyl 2,2-dichloropent-4-enoate

prop-2-enyl 2,2-dichloropent-4-enoate (PubChem CID 71333922) has the molecular formula C8H10Cl2O2 and a molecular weight of 209.07 g/mol. Its IUPAC name is prop-2-enyl 2,2-dichloropent-4-enoate.

Molecular Properties

Compound Nameprop-2-enyl 2,2-dichloropent-4-enoate
PubChem CID71333922
Molecular FormulaC8H10Cl2O2
Molecular Weight209.07 g/mol
Exact Mass208.01
IUPAC Nameprop-2-enyl 2,2-dichloropent-4-enoate
SMILESC=CCOC(=O)C(Cl)(Cl)CC=C
InChIInChI=1S/C8H10Cl2O2/c1-3-5-8(9,10)7(11)12-6-4-2/h3-4H,1-2,5-6H2
InChIKeyMNCYYBVXQINYRJ-UHFFFAOYSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.07
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2,2-dichloropent-4-enoate?
The IUPAC name of prop-2-enyl 2,2-dichloropent-4-enoate (CID 71333922) is prop-2-enyl 2,2-dichloropent-4-enoate.
What is the SMILES notation for prop-2-enyl 2,2-dichloropent-4-enoate?
The canonical SMILES for prop-2-enyl 2,2-dichloropent-4-enoate is C=CCOC(=O)C(Cl)(Cl)CC=C.
What is the InChIKey of prop-2-enyl 2,2-dichloropent-4-enoate?
The InChIKey is MNCYYBVXQINYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2O2/c1-3-5-8(9,10)7(11)12-6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of prop-2-enyl 2,2-dichloropent-4-enoate?
prop-2-enyl 2,2-dichloropent-4-enoate has a molecular weight of 209.07 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2,2-dichloropent-4-enoate is sourced from PubChem (CID 71333922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).