tert-butyl-[3-(cyclohexen-1-yl)-3-phenylmethoxyprop-1-ynoxy]-dimethylsilane

C22H32O2Si — CID 101185114

IUPACtert-butyl-[3-(cyclohexen-1-yl)-3-phenylmethoxyprop-1-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC#CC(OCc1ccccc1)C1=CCCCC1
InChIInChI=1S/C22H32O2Si/c1-22(2,3)25(4,5)24-17-16-21(20-14-10-7-11-15-20)23-18-19-12-8-6-9-13-19/h6,8-9,12-14,21H,7,10-11,15,18H2,1-5H3
InChIKeyJEOLZPSLPHNLMZ-UHFFFAOYSA-N
MW356.58 g/mol
LogP6.05
Rot. Bonds5

About tert-butyl-[3-(cyclohexen-1-yl)-3-phenylmethoxyprop-1-ynoxy]-dimethylsilane

tert-butyl-[3-(cyclohexen-1-yl)-3-phenylmethoxyprop-1-ynoxy]-dimethylsilane (PubChem CID 101185114) has the molecular formula C22H32O2Si and a molecular weight of 356.58 g/mol. Its IUPAC name is tert-butyl-[3-(cyclohexen-1-yl)-3-phenylmethoxyprop-1-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(cyclohexen-1-yl)-3-phenylmethoxyprop-1-ynoxy]-dimethylsilane
PubChem CID101185114
Molecular FormulaC22H32O2Si
Molecular Weight356.58 g/mol
Exact Mass356.22
IUPAC Nametert-butyl-[3-(cyclohexen-1-yl)-3-phenylmethoxyprop-1-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC#CC(OCc1ccccc1)C1=CCCCC1
InChIInChI=1S/C22H32O2Si/c1-22(2,3)25(4,5)24-17-16-21(20-14-10-7-11-15-20)23-18-19-12-8-6-9-13-19/h6,8-9,12-14,21H,7,10-11,15,18H2,1-5H3
InChIKeyJEOLZPSLPHNLMZ-UHFFFAOYSA-N
XLogP6.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.58
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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[3-[bis(phenylmethoxy)methyl]-2-bromocyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 10984127
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CID 71479466
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(cyclohexen-1-yl)-3-phenylmethoxyprop-1-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-(cyclohexen-1-yl)-3-phenylmethoxyprop-1-ynoxy]-dimethylsilane (CID 101185114) is tert-butyl-[3-(cyclohexen-1-yl)-3-phenylmethoxyprop-1-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(cyclohexen-1-yl)-3-phenylmethoxyprop-1-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(cyclohexen-1-yl)-3-phenylmethoxyprop-1-ynoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC#CC(OCc1ccccc1)C1=CCCCC1.
What is the InChIKey of tert-butyl-[3-(cyclohexen-1-yl)-3-phenylmethoxyprop-1-ynoxy]-dimethylsilane?
The InChIKey is JEOLZPSLPHNLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O2Si/c1-22(2,3)25(4,5)24-17-16-21(20-14-10-7-11-15-20)23-18-19-12-8-6-9-13-19/h6,8-9,12-14,21H,7,10-11,15,18H2,1-5H3.
What are the key properties of tert-butyl-[3-(cyclohexen-1-yl)-3-phenylmethoxyprop-1-ynoxy]-dimethylsilane?
tert-butyl-[3-(cyclohexen-1-yl)-3-phenylmethoxyprop-1-ynoxy]-dimethylsilane has a molecular weight of 356.58 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(cyclohexen-1-yl)-3-phenylmethoxyprop-1-ynoxy]-dimethylsilane is sourced from PubChem (CID 101185114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).