2-(1,1-dimethyl-3-prop-2-enyl-1-benzosilol-2-yl)ethynyl-tri(propan-2-yl)silane

C24H36Si2 — CID 102393103

IUPAC2-(1,1-dimethyl-3-prop-2-enyl-1-benzosilol-2-yl)ethynyl-tri(propan-2-yl)silane
SMILESC=CCC1=C(C#C[Si](C(C)C)(C(C)C)C(C)C)[Si](C)(C)c2ccccc21
InChIInChI=1S/C24H36Si2/c1-10-13-21-22-14-11-12-15-23(22)25(8,9)24(21)16-17-26(18(2)3,19(4)5)20(6)7/h10-12,14-15,18-20H,1,13H2,2-9H3
InChIKeySYWGTYMDHZDOJT-UHFFFAOYSA-N
MW380.72 g/mol
LogP6.71
Rot. Bonds5

About 2-(1,1-dimethyl-3-prop-2-enyl-1-benzosilol-2-yl)ethynyl-tri(propan-2-yl)silane

2-(1,1-dimethyl-3-prop-2-enyl-1-benzosilol-2-yl)ethynyl-tri(propan-2-yl)silane (PubChem CID 102393103) has the molecular formula C24H36Si2 and a molecular weight of 380.72 g/mol. Its IUPAC name is 2-(1,1-dimethyl-3-prop-2-enyl-1-benzosilol-2-yl)ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(1,1-dimethyl-3-prop-2-enyl-1-benzosilol-2-yl)ethynyl-tri(propan-2-yl)silane
PubChem CID102393103
Molecular FormulaC24H36Si2
Molecular Weight380.72 g/mol
Exact Mass380.24
IUPAC Name2-(1,1-dimethyl-3-prop-2-enyl-1-benzosilol-2-yl)ethynyl-tri(propan-2-yl)silane
SMILESC=CCC1=C(C#C[Si](C(C)C)(C(C)C)C(C)C)[Si](C)(C)c2ccccc21
InChIInChI=1S/C24H36Si2/c1-10-13-21-22-14-11-12-15-23(22)25(8,9)24(21)16-17-26(18(2)3,19(4)5)20(6)7/h10-12,14-15,18-20H,1,13H2,2-9H3
InChIKeySYWGTYMDHZDOJT-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.72
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dimethyl-3-prop-2-enyl-1-benzosilol-2-yl)ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-(1,1-dimethyl-3-prop-2-enyl-1-benzosilol-2-yl)ethynyl-tri(propan-2-yl)silane (CID 102393103) is 2-(1,1-dimethyl-3-prop-2-enyl-1-benzosilol-2-yl)ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(1,1-dimethyl-3-prop-2-enyl-1-benzosilol-2-yl)ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-(1,1-dimethyl-3-prop-2-enyl-1-benzosilol-2-yl)ethynyl-tri(propan-2-yl)silane is C=CCC1=C(C#C[Si](C(C)C)(C(C)C)C(C)C)[Si](C)(C)c2ccccc21.
What is the InChIKey of 2-(1,1-dimethyl-3-prop-2-enyl-1-benzosilol-2-yl)ethynyl-tri(propan-2-yl)silane?
The InChIKey is SYWGTYMDHZDOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36Si2/c1-10-13-21-22-14-11-12-15-23(22)25(8,9)24(21)16-17-26(18(2)3,19(4)5)20(6)7/h10-12,14-15,18-20H,1,13H2,2-9H3.
What are the key properties of 2-(1,1-dimethyl-3-prop-2-enyl-1-benzosilol-2-yl)ethynyl-tri(propan-2-yl)silane?
2-(1,1-dimethyl-3-prop-2-enyl-1-benzosilol-2-yl)ethynyl-tri(propan-2-yl)silane has a molecular weight of 380.72 g/mol, XLogP of 6.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dimethyl-3-prop-2-enyl-1-benzosilol-2-yl)ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 102393103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).