(5Z)-3-bromo-4-methyl-5-(trimethylsilylmethylidene)furan-2-one

C9H13BrO2Si — CID 59992590

IUPAC(5Z)-3-bromo-4-methyl-5-(trimethylsilylmethylidene)furan-2-one
SMILESCC1=C(Br)C(=O)O/C1=C\[Si](C)(C)C
InChIInChI=1S/C9H13BrO2Si/c1-6-7(5-13(2,3)4)12-9(11)8(6)10/h5H,1-4H3/b7-5-
InChIKeyXPKHMHMBJKFEPQ-ALCCZGGFSA-N
MW261.19 g/mol
LogP2.97
Rot. Bonds1

About (5Z)-3-bromo-4-methyl-5-(trimethylsilylmethylidene)furan-2-one

(5Z)-3-bromo-4-methyl-5-(trimethylsilylmethylidene)furan-2-one (PubChem CID 59992590) has the molecular formula C9H13BrO2Si and a molecular weight of 261.19 g/mol. Its IUPAC name is (5Z)-3-bromo-4-methyl-5-(trimethylsilylmethylidene)furan-2-one.

Molecular Properties

Compound Name(5Z)-3-bromo-4-methyl-5-(trimethylsilylmethylidene)furan-2-one
PubChem CID59992590
Molecular FormulaC9H13BrO2Si
Molecular Weight261.19 g/mol
Exact Mass259.99
IUPAC Name(5Z)-3-bromo-4-methyl-5-(trimethylsilylmethylidene)furan-2-one
SMILESCC1=C(Br)C(=O)O/C1=C\[Si](C)(C)C
InChIInChI=1S/C9H13BrO2Si/c1-6-7(5-13(2,3)4)12-9(11)8(6)10/h5H,1-4H3/b7-5-
InChIKeyXPKHMHMBJKFEPQ-ALCCZGGFSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E)-4-methyl-5-(trimethylsilylmethylidene)furan-2-one
CID 11830074
(5Z)-4-methyl-5-(trimethylsilylmethylidene)furan-2-one
CID 101024476
3-bromo-4-methyl-5-(methylene)-2(5H)furanone
CID 22287783
3-Bromo-4-methyl-5-(trimethylsilylmethylidene)furan-2-one
CID 72616544
3-Bromo-4-methyl-5-methylidenefuran-2-one;ethane
CID 142103764
3-Bromo-7-trimethylsilylfuro[2,3-c]pyran-2-one
CID 24879421
4-Methyl-5-(trimethylsilylmethylidene)furan-2-one
CID 57374266
(5Z)-3-bromo-5-[tri(propan-2-yl)silylmethylidene]furan-2-one
CID 72701623

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-bromo-4-methyl-5-(trimethylsilylmethylidene)furan-2-one?
The IUPAC name of (5Z)-3-bromo-4-methyl-5-(trimethylsilylmethylidene)furan-2-one (CID 59992590) is (5Z)-3-bromo-4-methyl-5-(trimethylsilylmethylidene)furan-2-one.
What is the SMILES notation for (5Z)-3-bromo-4-methyl-5-(trimethylsilylmethylidene)furan-2-one?
The canonical SMILES for (5Z)-3-bromo-4-methyl-5-(trimethylsilylmethylidene)furan-2-one is CC1=C(Br)C(=O)O/C1=C\[Si](C)(C)C.
What is the InChIKey of (5Z)-3-bromo-4-methyl-5-(trimethylsilylmethylidene)furan-2-one?
The InChIKey is XPKHMHMBJKFEPQ-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H13BrO2Si/c1-6-7(5-13(2,3)4)12-9(11)8(6)10/h5H,1-4H3/b7-5-.
What are the key properties of (5Z)-3-bromo-4-methyl-5-(trimethylsilylmethylidene)furan-2-one?
(5Z)-3-bromo-4-methyl-5-(trimethylsilylmethylidene)furan-2-one has a molecular weight of 261.19 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-bromo-4-methyl-5-(trimethylsilylmethylidene)furan-2-one is sourced from PubChem (CID 59992590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).