tri(propan-2-yl)-[2-(1-prop-2-enylindol-2-yl)ethynyl]silane

C22H31NSi — CID 135059121

IUPACtri(propan-2-yl)-[2-(1-prop-2-enylindol-2-yl)ethynyl]silane
SMILESC=CCn1c(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2ccccc21
InChIInChI=1S/C22H31NSi/c1-8-14-23-21(16-20-11-9-10-12-22(20)23)13-15-24(17(2)3,18(4)5)19(6)7/h8-12,16-19H,1,14H2,2-7H3
InChIKeyCPKVVYPRIQDOGM-UHFFFAOYSA-N
MW337.58 g/mol
LogP6.40
Rot. Bonds5

About tri(propan-2-yl)-[2-(1-prop-2-enylindol-2-yl)ethynyl]silane

tri(propan-2-yl)-[2-(1-prop-2-enylindol-2-yl)ethynyl]silane (PubChem CID 135059121) has the molecular formula C22H31NSi and a molecular weight of 337.58 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-(1-prop-2-enylindol-2-yl)ethynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-(1-prop-2-enylindol-2-yl)ethynyl]silane
PubChem CID135059121
Molecular FormulaC22H31NSi
Molecular Weight337.58 g/mol
Exact Mass337.22
IUPAC Nametri(propan-2-yl)-[2-(1-prop-2-enylindol-2-yl)ethynyl]silane
SMILESC=CCn1c(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2ccccc21
InChIInChI=1S/C22H31NSi/c1-8-14-23-21(16-20-11-9-10-12-22(20)23)13-15-24(17(2)3,18(4)5)19(6)7/h8-12,16-19H,1,14H2,2-7H3
InChIKeyCPKVVYPRIQDOGM-UHFFFAOYSA-N
XLogP6.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.58
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tri(propan-2-yl)-[2-(1-prop-2-enylindol-2-yl)ethynyl]silane?
The IUPAC name of tri(propan-2-yl)-[2-(1-prop-2-enylindol-2-yl)ethynyl]silane (CID 135059121) is tri(propan-2-yl)-[2-(1-prop-2-enylindol-2-yl)ethynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-(1-prop-2-enylindol-2-yl)ethynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-(1-prop-2-enylindol-2-yl)ethynyl]silane is C=CCn1c(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2ccccc21.
What is the InChIKey of tri(propan-2-yl)-[2-(1-prop-2-enylindol-2-yl)ethynyl]silane?
The InChIKey is CPKVVYPRIQDOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NSi/c1-8-14-23-21(16-20-11-9-10-12-22(20)23)13-15-24(17(2)3,18(4)5)19(6)7/h8-12,16-19H,1,14H2,2-7H3.
What are the key properties of tri(propan-2-yl)-[2-(1-prop-2-enylindol-2-yl)ethynyl]silane?
tri(propan-2-yl)-[2-(1-prop-2-enylindol-2-yl)ethynyl]silane has a molecular weight of 337.58 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[2-(1-prop-2-enylindol-2-yl)ethynyl]silane is sourced from PubChem (CID 135059121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).