tert-butyl-dimethyl-[(2R)-1-phenylmethoxybut-3-yn-2-yl]oxysilane

C17H26O2Si — CID 14902284

IUPACtert-butyl-dimethyl-[(2R)-1-phenylmethoxybut-3-yn-2-yl]oxysilane
SMILESC#C[C@H](COCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H26O2Si/c1-7-16(19-20(5,6)17(2,3)4)14-18-13-15-11-9-8-10-12-15/h1,8-12,16H,13-14H2,2-6H3/t16-/m1/s1
InChIKeyPVOPRISZINNCRA-MRXNPFEDSA-N
MW290.48 g/mol
LogP4.23
Rot. Bonds6

About tert-butyl-dimethyl-[(2R)-1-phenylmethoxybut-3-yn-2-yl]oxysilane

tert-butyl-dimethyl-[(2R)-1-phenylmethoxybut-3-yn-2-yl]oxysilane (PubChem CID 14902284) has the molecular formula C17H26O2Si and a molecular weight of 290.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R)-1-phenylmethoxybut-3-yn-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R)-1-phenylmethoxybut-3-yn-2-yl]oxysilane
PubChem CID14902284
Molecular FormulaC17H26O2Si
Molecular Weight290.48 g/mol
Exact Mass290.17
IUPAC Nametert-butyl-dimethyl-[(2R)-1-phenylmethoxybut-3-yn-2-yl]oxysilane
SMILESC#C[C@H](COCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H26O2Si/c1-7-16(19-20(5,6)17(2,3)4)14-18-13-15-11-9-8-10-12-15/h1,8-12,16H,13-14H2,2-6H3/t16-/m1/s1
InChIKeyPVOPRISZINNCRA-MRXNPFEDSA-N
XLogP4.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.23
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-dimethyl-[(2R)-1-phenylmethoxybut-3-yn-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2R)-1-phenylmethoxybut-3-yn-2-yl]oxysilane (CID 14902284) is tert-butyl-dimethyl-[(2R)-1-phenylmethoxybut-3-yn-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R)-1-phenylmethoxybut-3-yn-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2R)-1-phenylmethoxybut-3-yn-2-yl]oxysilane is C#C[C@H](COCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2R)-1-phenylmethoxybut-3-yn-2-yl]oxysilane?
The InChIKey is PVOPRISZINNCRA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26O2Si/c1-7-16(19-20(5,6)17(2,3)4)14-18-13-15-11-9-8-10-12-15/h1,8-12,16H,13-14H2,2-6H3/t16-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2R)-1-phenylmethoxybut-3-yn-2-yl]oxysilane?
tert-butyl-dimethyl-[(2R)-1-phenylmethoxybut-3-yn-2-yl]oxysilane has a molecular weight of 290.48 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R)-1-phenylmethoxybut-3-yn-2-yl]oxysilane is sourced from PubChem (CID 14902284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).