2-propan-2-yl-4-trimethylsilyl-2H-furan-5-one

C10H18O2Si — CID 102462327

IUPAC2-propan-2-yl-4-trimethylsilyl-2H-furan-5-one
SMILESCC(C)C1C=C([Si](C)(C)C)C(=O)O1
InChIInChI=1S/C10H18O2Si/c1-7(2)8-6-9(10(11)12-8)13(3,4)5/h6-8H,1-5H3
InChIKeyWIFYPUNJMOBKQD-UHFFFAOYSA-N
MW198.34 g/mol
LogP2.37
Rot. Bonds2

About 2-propan-2-yl-4-trimethylsilyl-2H-furan-5-one

2-propan-2-yl-4-trimethylsilyl-2H-furan-5-one (PubChem CID 102462327) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol. Its IUPAC name is 2-propan-2-yl-4-trimethylsilyl-2H-furan-5-one.

Molecular Properties

Compound Name2-propan-2-yl-4-trimethylsilyl-2H-furan-5-one
PubChem CID102462327
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Name2-propan-2-yl-4-trimethylsilyl-2H-furan-5-one
SMILESCC(C)C1C=C([Si](C)(C)C)C(=O)O1
InChIInChI=1S/C10H18O2Si/c1-7(2)8-6-9(10(11)12-8)13(3,4)5/h6-8H,1-5H3
InChIKeyWIFYPUNJMOBKQD-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.37
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

4-phenyl-2-propan-2-yl-2H-furan-5-one
CID 10703288
2-phenyl-4-trimethylsilyl-2H-furan-5-one
CID 11241759
(2R)-2-[(1R)-1-hydroxyethyl]-4-[(2R)-2-hydroxypropyl]-2H-furan-5-one
CID 38351285
(3R)-3-[(2R)-4-bromo-5-oxo-2H-furan-2-yl]butanal
CID 102258943
4-butan-2-yl-2-methyl-2H-furan-5-one
CID 11744843
2-propan-2-yl-2H-1,4-benzoxazine
CID 91262938
(2R)-2-[(S)-hydroxy(phenyl)methyl]-4-methyl-2H-furan-5-one
CID 134943158
(3S)-3-propan-2-yl-3H-2-benzofuran-1-one
CID 102418556
(4S)-4-propan-2-yloxetan-2-one
CID 11126218
(1S,3aS,6aR)-1-propan-2-yl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 101352885
2-phenyl-4-propan-2-yl-1,3-dioxetane
CID 67555130
(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one
CID 59706737

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-trimethylsilyl-2H-furan-5-one?
The IUPAC name of 2-propan-2-yl-4-trimethylsilyl-2H-furan-5-one (CID 102462327) is 2-propan-2-yl-4-trimethylsilyl-2H-furan-5-one.
What is the SMILES notation for 2-propan-2-yl-4-trimethylsilyl-2H-furan-5-one?
The canonical SMILES for 2-propan-2-yl-4-trimethylsilyl-2H-furan-5-one is CC(C)C1C=C([Si](C)(C)C)C(=O)O1.
What is the InChIKey of 2-propan-2-yl-4-trimethylsilyl-2H-furan-5-one?
The InChIKey is WIFYPUNJMOBKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-7(2)8-6-9(10(11)12-8)13(3,4)5/h6-8H,1-5H3.
What are the key properties of 2-propan-2-yl-4-trimethylsilyl-2H-furan-5-one?
2-propan-2-yl-4-trimethylsilyl-2H-furan-5-one has a molecular weight of 198.34 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-trimethylsilyl-2H-furan-5-one is sourced from PubChem (CID 102462327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).