propan-2-yl 2-(dibromomethyl)prop-2-enoate

C7H10Br2O2 — CID 54316536

IUPACpropan-2-yl 2-(dibromomethyl)prop-2-enoate
SMILESC=C(C(=O)OC(C)C)C(Br)Br
InChIInChI=1S/C7H10Br2O2/c1-4(2)11-7(10)5(3)6(8)9/h4,6H,3H2,1-2H3
InChIKeySOPBFIKSKOQQBA-UHFFFAOYSA-N
MW285.96 g/mol
LogP2.61
Rot. Bonds3

About propan-2-yl 2-(dibromomethyl)prop-2-enoate

propan-2-yl 2-(dibromomethyl)prop-2-enoate (PubChem CID 54316536) has the molecular formula C7H10Br2O2 and a molecular weight of 285.96 g/mol. Its IUPAC name is propan-2-yl 2-(dibromomethyl)prop-2-enoate.

Molecular Properties

Compound Namepropan-2-yl 2-(dibromomethyl)prop-2-enoate
PubChem CID54316536
Molecular FormulaC7H10Br2O2
Molecular Weight285.96 g/mol
Exact Mass283.90
IUPAC Namepropan-2-yl 2-(dibromomethyl)prop-2-enoate
SMILESC=C(C(=O)OC(C)C)C(Br)Br
InChIInChI=1S/C7H10Br2O2/c1-4(2)11-7(10)5(3)6(8)9/h4,6H,3H2,1-2H3
InChIKeySOPBFIKSKOQQBA-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.96
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(dibromomethyl)prop-2-enoate?
The IUPAC name of propan-2-yl 2-(dibromomethyl)prop-2-enoate (CID 54316536) is propan-2-yl 2-(dibromomethyl)prop-2-enoate.
What is the SMILES notation for propan-2-yl 2-(dibromomethyl)prop-2-enoate?
The canonical SMILES for propan-2-yl 2-(dibromomethyl)prop-2-enoate is C=C(C(=O)OC(C)C)C(Br)Br.
What is the InChIKey of propan-2-yl 2-(dibromomethyl)prop-2-enoate?
The InChIKey is SOPBFIKSKOQQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Br2O2/c1-4(2)11-7(10)5(3)6(8)9/h4,6H,3H2,1-2H3.
What are the key properties of propan-2-yl 2-(dibromomethyl)prop-2-enoate?
propan-2-yl 2-(dibromomethyl)prop-2-enoate has a molecular weight of 285.96 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(dibromomethyl)prop-2-enoate is sourced from PubChem (CID 54316536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).