1,1-ditert-butyl-2-(2-phenylmethoxyethyl)silirane

C19H32OSi — CID 101197368

IUPAC1,1-ditert-butyl-2-(2-phenylmethoxyethyl)silirane
SMILESCC(C)(C)[Si]1(C(C)(C)C)CC1CCOCc1ccccc1
InChIInChI=1S/C19H32OSi/c1-18(2,3)21(19(4,5)6)15-17(21)12-13-20-14-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3
InChIKeyGUHLRHFHFYPKIZ-UHFFFAOYSA-N
MW304.55 g/mol
LogP6.03
Rot. Bonds5

About 1,1-ditert-butyl-2-(2-phenylmethoxyethyl)silirane

1,1-ditert-butyl-2-(2-phenylmethoxyethyl)silirane (PubChem CID 101197368) has the molecular formula C19H32OSi and a molecular weight of 304.55 g/mol. Its IUPAC name is 1,1-ditert-butyl-2-(2-phenylmethoxyethyl)silirane.

Molecular Properties

Compound Name1,1-ditert-butyl-2-(2-phenylmethoxyethyl)silirane
PubChem CID101197368
Molecular FormulaC19H32OSi
Molecular Weight304.55 g/mol
Exact Mass304.22
IUPAC Name1,1-ditert-butyl-2-(2-phenylmethoxyethyl)silirane
SMILESCC(C)(C)[Si]1(C(C)(C)C)CC1CCOCc1ccccc1
InChIInChI=1S/C19H32OSi/c1-18(2,3)21(19(4,5)6)15-17(21)12-13-20-14-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3
InChIKeyGUHLRHFHFYPKIZ-UHFFFAOYSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.55
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-ditert-butyl-2-(2-phenylmethoxyethyl)silirane?
The IUPAC name of 1,1-ditert-butyl-2-(2-phenylmethoxyethyl)silirane (CID 101197368) is 1,1-ditert-butyl-2-(2-phenylmethoxyethyl)silirane.
What is the SMILES notation for 1,1-ditert-butyl-2-(2-phenylmethoxyethyl)silirane?
The canonical SMILES for 1,1-ditert-butyl-2-(2-phenylmethoxyethyl)silirane is CC(C)(C)[Si]1(C(C)(C)C)CC1CCOCc1ccccc1.
What is the InChIKey of 1,1-ditert-butyl-2-(2-phenylmethoxyethyl)silirane?
The InChIKey is GUHLRHFHFYPKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32OSi/c1-18(2,3)21(19(4,5)6)15-17(21)12-13-20-14-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3.
What are the key properties of 1,1-ditert-butyl-2-(2-phenylmethoxyethyl)silirane?
1,1-ditert-butyl-2-(2-phenylmethoxyethyl)silirane has a molecular weight of 304.55 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-ditert-butyl-2-(2-phenylmethoxyethyl)silirane is sourced from PubChem (CID 101197368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).