7-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]spiro[3.5]nonan-2-one

C21H32O2Si — CID 167488490

IUPAC7-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]spiro[3.5]nonan-2-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2CCC3(CC2)CC(=O)C3)cc1
InChIInChI=1S/C21H32O2Si/c1-20(2,3)24(4,5)23-19-8-6-16(7-9-19)17-10-12-21(13-11-17)14-18(22)15-21/h6-9,17H,10-15H2,1-5H3
InChIKeyZHXKPDDWAFZANV-UHFFFAOYSA-N
MW344.57 g/mol
LogP6.08
Rot. Bonds3

About 7-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]spiro[3.5]nonan-2-one

7-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]spiro[3.5]nonan-2-one (PubChem CID 167488490) has the molecular formula C21H32O2Si and a molecular weight of 344.57 g/mol. Its IUPAC name is 7-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]spiro[3.5]nonan-2-one.

Molecular Properties

Compound Name7-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]spiro[3.5]nonan-2-one
PubChem CID167488490
Molecular FormulaC21H32O2Si
Molecular Weight344.57 g/mol
Exact Mass344.22
IUPAC Name7-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]spiro[3.5]nonan-2-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2CCC3(CC2)CC(=O)C3)cc1
InChIInChI=1S/C21H32O2Si/c1-20(2,3)24(4,5)23-19-8-6-16(7-9-19)17-10-12-21(13-11-17)14-18(22)15-21/h6-9,17H,10-15H2,1-5H3
InChIKeyZHXKPDDWAFZANV-UHFFFAOYSA-N
XLogP6.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.57
LogP ≤ 56.08
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 7-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]spiro[3.5]nonan-2-one?
The IUPAC name of 7-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]spiro[3.5]nonan-2-one (CID 167488490) is 7-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]spiro[3.5]nonan-2-one.
What is the SMILES notation for 7-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]spiro[3.5]nonan-2-one?
The canonical SMILES for 7-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]spiro[3.5]nonan-2-one is CC(C)(C)[Si](C)(C)Oc1ccc(C2CCC3(CC2)CC(=O)C3)cc1.
What is the InChIKey of 7-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]spiro[3.5]nonan-2-one?
The InChIKey is ZHXKPDDWAFZANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O2Si/c1-20(2,3)24(4,5)23-19-8-6-16(7-9-19)17-10-12-21(13-11-17)14-18(22)15-21/h6-9,17H,10-15H2,1-5H3.
What are the key properties of 7-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]spiro[3.5]nonan-2-one?
7-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]spiro[3.5]nonan-2-one has a molecular weight of 344.57 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]spiro[3.5]nonan-2-one is sourced from PubChem (CID 167488490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).