5,5-dimethyl-6a-phenyl-3-trimethylsilyl-6H-furo[3,2-b]furan-2-one

C17H22O3Si — CID 154031740

IUPAC5,5-dimethyl-6a-phenyl-3-trimethylsilyl-6H-furo[3,2-b]furan-2-one
SMILESCC1(C)CC2(c3ccccc3)OC(=O)C([Si](C)(C)C)=C2O1
InChIInChI=1S/C17H22O3Si/c1-16(2)11-17(12-9-7-6-8-10-12)14(19-16)13(15(18)20-17)21(3,4)5/h6-10H,11H2,1-5H3
InChIKeyYDQJNRVIGWNHBS-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.77
Rot. Bonds2

About 5,5-dimethyl-6a-phenyl-3-trimethylsilyl-6H-furo[3,2-b]furan-2-one

5,5-dimethyl-6a-phenyl-3-trimethylsilyl-6H-furo[3,2-b]furan-2-one (PubChem CID 154031740) has the molecular formula C17H22O3Si and a molecular weight of 302.45 g/mol. Its IUPAC name is 5,5-dimethyl-6a-phenyl-3-trimethylsilyl-6H-furo[3,2-b]furan-2-one.

Molecular Properties

Compound Name5,5-dimethyl-6a-phenyl-3-trimethylsilyl-6H-furo[3,2-b]furan-2-one
PubChem CID154031740
Molecular FormulaC17H22O3Si
Molecular Weight302.45 g/mol
Exact Mass302.13
IUPAC Name5,5-dimethyl-6a-phenyl-3-trimethylsilyl-6H-furo[3,2-b]furan-2-one
SMILESCC1(C)CC2(c3ccccc3)OC(=O)C([Si](C)(C)C)=C2O1
InChIInChI=1S/C17H22O3Si/c1-16(2)11-17(12-9-7-6-8-10-12)14(19-16)13(15(18)20-17)21(3,4)5/h6-10H,11H2,1-5H3
InChIKeyYDQJNRVIGWNHBS-UHFFFAOYSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5,5-dimethyl-6a-phenyl-3-trimethylsilyl-6H-furo[3,2-b]furan-2-one?
The IUPAC name of 5,5-dimethyl-6a-phenyl-3-trimethylsilyl-6H-furo[3,2-b]furan-2-one (CID 154031740) is 5,5-dimethyl-6a-phenyl-3-trimethylsilyl-6H-furo[3,2-b]furan-2-one.
What is the SMILES notation for 5,5-dimethyl-6a-phenyl-3-trimethylsilyl-6H-furo[3,2-b]furan-2-one?
The canonical SMILES for 5,5-dimethyl-6a-phenyl-3-trimethylsilyl-6H-furo[3,2-b]furan-2-one is CC1(C)CC2(c3ccccc3)OC(=O)C([Si](C)(C)C)=C2O1.
What is the InChIKey of 5,5-dimethyl-6a-phenyl-3-trimethylsilyl-6H-furo[3,2-b]furan-2-one?
The InChIKey is YDQJNRVIGWNHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3Si/c1-16(2)11-17(12-9-7-6-8-10-12)14(19-16)13(15(18)20-17)21(3,4)5/h6-10H,11H2,1-5H3.
What are the key properties of 5,5-dimethyl-6a-phenyl-3-trimethylsilyl-6H-furo[3,2-b]furan-2-one?
5,5-dimethyl-6a-phenyl-3-trimethylsilyl-6H-furo[3,2-b]furan-2-one has a molecular weight of 302.45 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-6a-phenyl-3-trimethylsilyl-6H-furo[3,2-b]furan-2-one is sourced from PubChem (CID 154031740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).