1-Di(tert-butyl)silyloxy-2-phenylethane

C16H27OSi — CID 6329257

IUPAC—
SMILESCC(C)(C)[Si](OCCc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H27OSi/c1-15(2,3)18(16(4,5)6)17-13-12-14-10-8-7-9-11-14/h7-11H,12-13H2,1-6H3
InChIKeyKVBUQAXEJGZNBK-UHFFFAOYSA-N
MW263.48 g/mol
LogP4.84
Rot. Bonds4

About 1-Di(tert-butyl)silyloxy-2-phenylethane

1-Di(tert-butyl)silyloxy-2-phenylethane (PubChem CID 6329257) has the molecular formula C16H27OSi and a molecular weight of 263.48 g/mol.

Molecular Properties

Compound Name1-Di(tert-butyl)silyloxy-2-phenylethane
PubChem CID6329257
Molecular FormulaC16H27OSi
Molecular Weight263.48 g/mol
Exact Mass263.18
IUPAC Name—
SMILESCC(C)(C)[Si](OCCc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H27OSi/c1-15(2,3)18(16(4,5)6)17-13-12-14-10-8-7-9-11-14/h7-11H,12-13H2,1-6H3
InChIKeyKVBUQAXEJGZNBK-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.48
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methyl phenethyl ether
CID 19089
Isoamyl phenethyl ether
CID 91978
Benzene, (2-ethoxyethyl)-
CID 74556
Butyl phenethyl ether
CID 79240
Benzene, [2-(1-methylethoxy)ethyl]-
CID 106442
Benzyloxytrimethylsilane
CID 518982
Triethoxy(p-tolyl)silane
CID 4670738
(3-Methoxy-2-methylpropyl)benzene
CID 22336876
Benzyltriethoxysilane
CID 75690
Benzene, [1-[(trimethylsilyl)oxy]ethenyl]-
CID 117406
Benzene, ((ethoxydimethylsilyl)methyl)-
CID 86972
(3-Ethoxypropyl)benzene
CID 79929

Frequently Asked Questions

What is the IUPAC name of 1-Di(tert-butyl)silyloxy-2-phenylethane?
The IUPAC name of 1-Di(tert-butyl)silyloxy-2-phenylethane (CID 6329257) is not available.
What is the SMILES notation for 1-Di(tert-butyl)silyloxy-2-phenylethane?
The canonical SMILES for 1-Di(tert-butyl)silyloxy-2-phenylethane is CC(C)(C)[Si](OCCc1ccccc1)C(C)(C)C.
What is the InChIKey of 1-Di(tert-butyl)silyloxy-2-phenylethane?
The InChIKey is KVBUQAXEJGZNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27OSi/c1-15(2,3)18(16(4,5)6)17-13-12-14-10-8-7-9-11-14/h7-11H,12-13H2,1-6H3.
What are the key properties of 1-Di(tert-butyl)silyloxy-2-phenylethane?
1-Di(tert-butyl)silyloxy-2-phenylethane has a molecular weight of 263.48 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Di(tert-butyl)silyloxy-2-phenylethane is sourced from PubChem (CID 6329257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).