(5Z)-4-bromo-5-(3-trimethylsilylprop-2-ynylidene)furan-2-one

C10H11BrO2Si — CID 165344994

IUPAC(5Z)-4-bromo-5-(3-trimethylsilylprop-2-ynylidene)furan-2-one
SMILESC[Si](C)(C)C#C/C=C1\OC(=O)C=C1Br
InChIInChI=1S/C10H11BrO2Si/c1-14(2,3)6-4-5-9-8(11)7-10(12)13-9/h5,7H,1-3H3/b9-5-
InChIKeyLOFMQWGNRWOTSJ-UITAMQMPSA-N
MW271.19 g/mol
LogP2.59
Rot. Bonds

About (5Z)-4-bromo-5-(3-trimethylsilylprop-2-ynylidene)furan-2-one

(5Z)-4-bromo-5-(3-trimethylsilylprop-2-ynylidene)furan-2-one (PubChem CID 165344994) has the molecular formula C10H11BrO2Si and a molecular weight of 271.19 g/mol. Its IUPAC name is (5Z)-4-bromo-5-(3-trimethylsilylprop-2-ynylidene)furan-2-one.

Molecular Properties

Compound Name(5Z)-4-bromo-5-(3-trimethylsilylprop-2-ynylidene)furan-2-one
PubChem CID165344994
Molecular FormulaC10H11BrO2Si
Molecular Weight271.19 g/mol
Exact Mass269.97
IUPAC Name(5Z)-4-bromo-5-(3-trimethylsilylprop-2-ynylidene)furan-2-one
SMILESC[Si](C)(C)C#C/C=C1\OC(=O)C=C1Br
InChIInChI=1S/C10H11BrO2Si/c1-14(2,3)6-4-5-9-8(11)7-10(12)13-9/h5,7H,1-3H3/b9-5-
InChIKeyLOFMQWGNRWOTSJ-UITAMQMPSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-bromo-5-(3-trimethylsilylprop-2-ynylidene)furan-2-one?
The IUPAC name of (5Z)-4-bromo-5-(3-trimethylsilylprop-2-ynylidene)furan-2-one (CID 165344994) is (5Z)-4-bromo-5-(3-trimethylsilylprop-2-ynylidene)furan-2-one.
What is the SMILES notation for (5Z)-4-bromo-5-(3-trimethylsilylprop-2-ynylidene)furan-2-one?
The canonical SMILES for (5Z)-4-bromo-5-(3-trimethylsilylprop-2-ynylidene)furan-2-one is C[Si](C)(C)C#C/C=C1\OC(=O)C=C1Br.
What is the InChIKey of (5Z)-4-bromo-5-(3-trimethylsilylprop-2-ynylidene)furan-2-one?
The InChIKey is LOFMQWGNRWOTSJ-UITAMQMPSA-N. The full InChI is InChI=1S/C10H11BrO2Si/c1-14(2,3)6-4-5-9-8(11)7-10(12)13-9/h5,7H,1-3H3/b9-5-.
What are the key properties of (5Z)-4-bromo-5-(3-trimethylsilylprop-2-ynylidene)furan-2-one?
(5Z)-4-bromo-5-(3-trimethylsilylprop-2-ynylidene)furan-2-one has a molecular weight of 271.19 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-bromo-5-(3-trimethylsilylprop-2-ynylidene)furan-2-one is sourced from PubChem (CID 165344994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).