tert-butyl-[3-(oxan-2-yl)prop-2-ynoxy]-diphenylsilane

C24H30O2Si — CID 11047106

IUPACtert-butyl-[3-(oxan-2-yl)prop-2-ynoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCC#CC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30O2Si/c1-24(2,3)27(22-15-6-4-7-16-22,23-17-8-5-9-18-23)26-20-12-14-21-13-10-11-19-25-21/h4-9,15-18,21H,10-11,13,19-20H2,1-3H3
InChIKeyKATFDGHXRYOMBX-UHFFFAOYSA-N
MW378.59 g/mol
LogP4.14
Rot. Bonds4

About tert-butyl-[3-(oxan-2-yl)prop-2-ynoxy]-diphenylsilane

tert-butyl-[3-(oxan-2-yl)prop-2-ynoxy]-diphenylsilane (PubChem CID 11047106) has the molecular formula C24H30O2Si and a molecular weight of 378.59 g/mol. Its IUPAC name is tert-butyl-[3-(oxan-2-yl)prop-2-ynoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(oxan-2-yl)prop-2-ynoxy]-diphenylsilane
PubChem CID11047106
Molecular FormulaC24H30O2Si
Molecular Weight378.59 g/mol
Exact Mass378.20
IUPAC Nametert-butyl-[3-(oxan-2-yl)prop-2-ynoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCC#CC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30O2Si/c1-24(2,3)27(22-15-6-4-7-16-22,23-17-8-5-9-18-23)26-20-12-14-21-13-10-11-19-25-21/h4-9,15-18,21H,10-11,13,19-20H2,1-3H3
InChIKeyKATFDGHXRYOMBX-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(oxan-2-yl)prop-2-ynoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[3-(oxan-2-yl)prop-2-ynoxy]-diphenylsilane (CID 11047106) is tert-butyl-[3-(oxan-2-yl)prop-2-ynoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[3-(oxan-2-yl)prop-2-ynoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[3-(oxan-2-yl)prop-2-ynoxy]-diphenylsilane is CC(C)(C)[Si](OCC#CC1CCCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[3-(oxan-2-yl)prop-2-ynoxy]-diphenylsilane?
The InChIKey is KATFDGHXRYOMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2Si/c1-24(2,3)27(22-15-6-4-7-16-22,23-17-8-5-9-18-23)26-20-12-14-21-13-10-11-19-25-21/h4-9,15-18,21H,10-11,13,19-20H2,1-3H3.
What are the key properties of tert-butyl-[3-(oxan-2-yl)prop-2-ynoxy]-diphenylsilane?
tert-butyl-[3-(oxan-2-yl)prop-2-ynoxy]-diphenylsilane has a molecular weight of 378.59 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(oxan-2-yl)prop-2-ynoxy]-diphenylsilane is sourced from PubChem (CID 11047106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).