tri(propan-2-yl)-[2-[15-[2-tri(propan-2-yl)silylethynyl]-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane

C47H58Si2 — CID 90913655

IUPACtri(propan-2-yl)-[2-[15-[2-tri(propan-2-yl)silylethynyl]-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane
SMILESCC(C)[Si](C#CC1=CC=C2C=c3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c3=C3C=CC4=C5C=CC=CC5C=CC14C23)(C(C)C)C(C)C
InChIInChI=1S/C47H58Si2/c1-31(2)48(32(3)4,33(5)6)28-25-38-17-15-18-39-30-40-20-21-41(26-29-49(34(7)8,35(9)10)36(11)12)47-27-24-37-16-13-14-19-42(37)44(47)23-22-43(45(38)39)46(40)47/h13-24,27,30-37,46H,1-12H3
InChIKeyIYCOOAGYRPBCIK-UHFFFAOYSA-N
MW679.15 g/mol
LogP11.07
Rot. Bonds6

About tri(propan-2-yl)-[2-[15-[2-tri(propan-2-yl)silylethynyl]-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane

tri(propan-2-yl)-[2-[15-[2-tri(propan-2-yl)silylethynyl]-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane (PubChem CID 90913655) has the molecular formula C47H58Si2 and a molecular weight of 679.15 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[15-[2-tri(propan-2-yl)silylethynyl]-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-[15-[2-tri(propan-2-yl)silylethynyl]-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane
PubChem CID90913655
Molecular FormulaC47H58Si2
Molecular Weight679.15 g/mol
Exact Mass678.41
IUPAC Nametri(propan-2-yl)-[2-[15-[2-tri(propan-2-yl)silylethynyl]-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane
SMILESCC(C)[Si](C#CC1=CC=C2C=c3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c3=C3C=CC4=C5C=CC=CC5C=CC14C23)(C(C)C)C(C)C
InChIInChI=1S/C47H58Si2/c1-31(2)48(32(3)4,33(5)6)28-25-38-17-15-18-39-30-40-20-21-41(26-29-49(34(7)8,35(9)10)36(11)12)47-27-24-37-16-13-14-19-42(37)44(47)23-22-43(45(38)39)46(40)47/h13-24,27,30-37,46H,1-12H3
InChIKeyIYCOOAGYRPBCIK-UHFFFAOYSA-N
XLogP11.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.15
LogP ≤ 511.07
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 tri(propan-2-yl)-[2-[15-[2-tri(propan-2-yl)silylethynyl]-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane?
The IUPAC name of tri(propan-2-yl)-[2-[15-[2-tri(propan-2-yl)silylethynyl]-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane (CID 90913655) is tri(propan-2-yl)-[2-[15-[2-tri(propan-2-yl)silylethynyl]-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-[15-[2-tri(propan-2-yl)silylethynyl]-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-[15-[2-tri(propan-2-yl)silylethynyl]-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane is CC(C)[Si](C#CC1=CC=C2C=c3cccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c3=C3C=CC4=C5C=CC=CC5C=CC14C23)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2-[15-[2-tri(propan-2-yl)silylethynyl]-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane?
The InChIKey is IYCOOAGYRPBCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H58Si2/c1-31(2)48(32(3)4,33(5)6)28-25-38-17-15-18-39-30-40-20-21-41(26-29-49(34(7)8,35(9)10)36(11)12)47-27-24-37-16-13-14-19-42(37)44(47)23-22-43(45(38)39)46(40)47/h13-24,27,30-37,46H,1-12H3.
What are the key properties of tri(propan-2-yl)-[2-[15-[2-tri(propan-2-yl)silylethynyl]-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane?
tri(propan-2-yl)-[2-[15-[2-tri(propan-2-yl)silylethynyl]-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane has a molecular weight of 679.15 g/mol, XLogP of 11.07, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[2-[15-[2-tri(propan-2-yl)silylethynyl]-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane is sourced from PubChem (CID 90913655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).