(5Z)-3-bromo-5-[tri(propan-2-yl)silylmethylidene]furan-2-one

C14H23BrO2Si — CID 72701623

IUPAC(5Z)-3-bromo-5-[tri(propan-2-yl)silylmethylidene]furan-2-one
SMILESCC(C)[Si](/C=C1/C=C(Br)C(=O)O1)(C(C)C)C(C)C
InChIInChI=1S/C14H23BrO2Si/c1-9(2)18(10(3)4,11(5)6)8-12-7-13(15)14(16)17-12/h7-11H,1-6H3/b12-8-
InChIKeyRZQBMNZTKHGXOG-WQLSENKSSA-N
MW331.33 g/mol
LogP4.92
Rot. Bonds4

About (5Z)-3-bromo-5-[tri(propan-2-yl)silylmethylidene]furan-2-one

(5Z)-3-bromo-5-[tri(propan-2-yl)silylmethylidene]furan-2-one (PubChem CID 72701623) has the molecular formula C14H23BrO2Si and a molecular weight of 331.33 g/mol. Its IUPAC name is (5Z)-3-bromo-5-[tri(propan-2-yl)silylmethylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-3-bromo-5-[tri(propan-2-yl)silylmethylidene]furan-2-one
PubChem CID72701623
Molecular FormulaC14H23BrO2Si
Molecular Weight331.33 g/mol
Exact Mass330.07
IUPAC Name(5Z)-3-bromo-5-[tri(propan-2-yl)silylmethylidene]furan-2-one
SMILESCC(C)[Si](/C=C1/C=C(Br)C(=O)O1)(C(C)C)C(C)C
InChIInChI=1S/C14H23BrO2Si/c1-9(2)18(10(3)4,11(5)6)8-12-7-13(15)14(16)17-12/h7-11H,1-6H3/b12-8-
InChIKeyRZQBMNZTKHGXOG-WQLSENKSSA-N
XLogP4.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-bromo-5-[tri(propan-2-yl)silylmethylidene]furan-2-one?
The IUPAC name of (5Z)-3-bromo-5-[tri(propan-2-yl)silylmethylidene]furan-2-one (CID 72701623) is (5Z)-3-bromo-5-[tri(propan-2-yl)silylmethylidene]furan-2-one.
What is the SMILES notation for (5Z)-3-bromo-5-[tri(propan-2-yl)silylmethylidene]furan-2-one?
The canonical SMILES for (5Z)-3-bromo-5-[tri(propan-2-yl)silylmethylidene]furan-2-one is CC(C)[Si](/C=C1/C=C(Br)C(=O)O1)(C(C)C)C(C)C.
What is the InChIKey of (5Z)-3-bromo-5-[tri(propan-2-yl)silylmethylidene]furan-2-one?
The InChIKey is RZQBMNZTKHGXOG-WQLSENKSSA-N. The full InChI is InChI=1S/C14H23BrO2Si/c1-9(2)18(10(3)4,11(5)6)8-12-7-13(15)14(16)17-12/h7-11H,1-6H3/b12-8-.
What are the key properties of (5Z)-3-bromo-5-[tri(propan-2-yl)silylmethylidene]furan-2-one?
(5Z)-3-bromo-5-[tri(propan-2-yl)silylmethylidene]furan-2-one has a molecular weight of 331.33 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-bromo-5-[tri(propan-2-yl)silylmethylidene]furan-2-one is sourced from PubChem (CID 72701623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).