2-phenylethynyl-tri(propan-2-yloxy)silane

C17H26O3Si — CID 18410636

IUPAC2-phenylethynyl-tri(propan-2-yloxy)silane
SMILESCC(C)O[Si](C#Cc1ccccc1)(OC(C)C)OC(C)C
InChIInChI=1S/C17H26O3Si/c1-14(2)18-21(19-15(3)4,20-16(5)6)13-12-17-10-8-7-9-11-17/h7-11,14-16H,1-6H3
InChIKeyXOVATNNDESEWEU-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.79
Rot. Bonds6

About 2-phenylethynyl-tri(propan-2-yloxy)silane

2-phenylethynyl-tri(propan-2-yloxy)silane (PubChem CID 18410636) has the molecular formula C17H26O3Si and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-phenylethynyl-tri(propan-2-yloxy)silane.

Molecular Properties

Compound Name2-phenylethynyl-tri(propan-2-yloxy)silane
PubChem CID18410636
Molecular FormulaC17H26O3Si
Molecular Weight306.48 g/mol
Exact Mass306.17
IUPAC Name2-phenylethynyl-tri(propan-2-yloxy)silane
SMILESCC(C)O[Si](C#Cc1ccccc1)(OC(C)C)OC(C)C
InChIInChI=1S/C17H26O3Si/c1-14(2)18-21(19-15(3)4,20-16(5)6)13-12-17-10-8-7-9-11-17/h7-11,14-16H,1-6H3
InChIKeyXOVATNNDESEWEU-UHFFFAOYSA-N
XLogP3.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-phenylethynyl-tri(propan-2-yloxy)silane?
The IUPAC name of 2-phenylethynyl-tri(propan-2-yloxy)silane (CID 18410636) is 2-phenylethynyl-tri(propan-2-yloxy)silane.
What is the SMILES notation for 2-phenylethynyl-tri(propan-2-yloxy)silane?
The canonical SMILES for 2-phenylethynyl-tri(propan-2-yloxy)silane is CC(C)O[Si](C#Cc1ccccc1)(OC(C)C)OC(C)C.
What is the InChIKey of 2-phenylethynyl-tri(propan-2-yloxy)silane?
The InChIKey is XOVATNNDESEWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3Si/c1-14(2)18-21(19-15(3)4,20-16(5)6)13-12-17-10-8-7-9-11-17/h7-11,14-16H,1-6H3.
What are the key properties of 2-phenylethynyl-tri(propan-2-yloxy)silane?
2-phenylethynyl-tri(propan-2-yloxy)silane has a molecular weight of 306.48 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethynyl-tri(propan-2-yloxy)silane is sourced from PubChem (CID 18410636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).