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

C9H14O2Si — CID 101024476

IUPAC(5Z)-4-methyl-5-(trimethylsilylmethylidene)furan-2-one
SMILESCC1=CC(=O)O/C1=C\[Si](C)(C)C
InChIInChI=1S/C9H14O2Si/c1-7-5-9(10)11-8(7)6-12(2,3)4/h5-6H,1-4H3/b8-6-
InChIKeyBTRAPRICISXVKD-VURMDHGXSA-N
MW182.29 g/mol
LogP2.25
Rot. Bonds1

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

(5Z)-4-methyl-5-(trimethylsilylmethylidene)furan-2-one (PubChem CID 101024476) has the molecular formula C9H14O2Si and a molecular weight of 182.29 g/mol. Its IUPAC name is (5Z)-4-methyl-5-(trimethylsilylmethylidene)furan-2-one.

Molecular Properties

Compound Name(5Z)-4-methyl-5-(trimethylsilylmethylidene)furan-2-one
PubChem CID101024476
Molecular FormulaC9H14O2Si
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name(5Z)-4-methyl-5-(trimethylsilylmethylidene)furan-2-one
SMILESCC1=CC(=O)O/C1=C\[Si](C)(C)C
InChIInChI=1S/C9H14O2Si/c1-7-5-9(10)11-8(7)6-12(2,3)4/h5-6H,1-4H3/b8-6-
InChIKeyBTRAPRICISXVKD-VURMDHGXSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.25
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)-4-methyl-5-(trimethylsilylmethylidene)furan-2-one?
The IUPAC name of (5Z)-4-methyl-5-(trimethylsilylmethylidene)furan-2-one (CID 101024476) is (5Z)-4-methyl-5-(trimethylsilylmethylidene)furan-2-one.
What is the SMILES notation for (5Z)-4-methyl-5-(trimethylsilylmethylidene)furan-2-one?
The canonical SMILES for (5Z)-4-methyl-5-(trimethylsilylmethylidene)furan-2-one is CC1=CC(=O)O/C1=C\[Si](C)(C)C.
What is the InChIKey of (5Z)-4-methyl-5-(trimethylsilylmethylidene)furan-2-one?
The InChIKey is BTRAPRICISXVKD-VURMDHGXSA-N. The full InChI is InChI=1S/C9H14O2Si/c1-7-5-9(10)11-8(7)6-12(2,3)4/h5-6H,1-4H3/b8-6-.
What are the key properties of (5Z)-4-methyl-5-(trimethylsilylmethylidene)furan-2-one?
(5Z)-4-methyl-5-(trimethylsilylmethylidene)furan-2-one has a molecular weight of 182.29 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-methyl-5-(trimethylsilylmethylidene)furan-2-one is sourced from PubChem (CID 101024476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).