tri(propan-2-yl)-[2-[19-[2-tri(propan-2-yl)silylethynyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-7-yl]ethynyl]silane

C44H52O2Si2 — CID 70938411

IUPACtri(propan-2-yl)-[2-[19-[2-tri(propan-2-yl)silylethynyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-7-yl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1ccc2oc3c(ccc4c3ccc3c5cc(C#C[Si](C(C)C)(C(C)C)C(C)C)ccc5oc34)c2c1)(C(C)C)C(C)C
InChIInChI=1S/C44H52O2Si2/c1-27(2)47(28(3)4,29(5)6)23-21-33-13-19-41-39(25-33)37-17-15-36-35(43(37)45-41)16-18-38-40-26-34(14-20-42(40)46-44(36)38)22-24-48(30(7)8,31(9)10)32(11)12/h13-20,25-32H,1-12H3
InChIKeyXFNBLVGKNZYMJT-UHFFFAOYSA-N
MW669.07 g/mol
LogP13.78
Rot. Bonds6

About tri(propan-2-yl)-[2-[19-[2-tri(propan-2-yl)silylethynyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-7-yl]ethynyl]silane

tri(propan-2-yl)-[2-[19-[2-tri(propan-2-yl)silylethynyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-7-yl]ethynyl]silane (PubChem CID 70938411) has the molecular formula C44H52O2Si2 and a molecular weight of 669.07 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[19-[2-tri(propan-2-yl)silylethynyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-7-yl]ethynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-[19-[2-tri(propan-2-yl)silylethynyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-7-yl]ethynyl]silane
PubChem CID70938411
Molecular FormulaC44H52O2Si2
Molecular Weight669.07 g/mol
Exact Mass668.35
IUPAC Nametri(propan-2-yl)-[2-[19-[2-tri(propan-2-yl)silylethynyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-7-yl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1ccc2oc3c(ccc4c3ccc3c5cc(C#C[Si](C(C)C)(C(C)C)C(C)C)ccc5oc34)c2c1)(C(C)C)C(C)C
InChIInChI=1S/C44H52O2Si2/c1-27(2)47(28(3)4,29(5)6)23-21-33-13-19-41-39(25-33)37-17-15-36-35(43(37)45-41)16-18-38-40-26-34(14-20-42(40)46-44(36)38)22-24-48(30(7)8,31(9)10)32(11)12/h13-20,25-32H,1-12H3
InChIKeyXFNBLVGKNZYMJT-UHFFFAOYSA-N
XLogP13.78
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.07
LogP ≤ 513.78
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'}

Analyze tri(propan-2-yl)-[2-[19-[2-tri(propan-2-yl)silylethynyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-7-yl]ethynyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[2-[19-[2-tri(propan-2-yl)silylethynyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-7-yl]ethynyl]silane?
The IUPAC name of tri(propan-2-yl)-[2-[19-[2-tri(propan-2-yl)silylethynyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-7-yl]ethynyl]silane (CID 70938411) is tri(propan-2-yl)-[2-[19-[2-tri(propan-2-yl)silylethynyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-7-yl]ethynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-[19-[2-tri(propan-2-yl)silylethynyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-7-yl]ethynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-[19-[2-tri(propan-2-yl)silylethynyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-7-yl]ethynyl]silane is CC(C)[Si](C#Cc1ccc2oc3c(ccc4c3ccc3c5cc(C#C[Si](C(C)C)(C(C)C)C(C)C)ccc5oc34)c2c1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2-[19-[2-tri(propan-2-yl)silylethynyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-7-yl]ethynyl]silane?
The InChIKey is XFNBLVGKNZYMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H52O2Si2/c1-27(2)47(28(3)4,29(5)6)23-21-33-13-19-41-39(25-33)37-17-15-36-35(43(37)45-41)16-18-38-40-26-34(14-20-42(40)46-44(36)38)22-24-48(30(7)8,31(9)10)32(11)12/h13-20,25-32H,1-12H3.
What are the key properties of tri(propan-2-yl)-[2-[19-[2-tri(propan-2-yl)silylethynyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-7-yl]ethynyl]silane?
tri(propan-2-yl)-[2-[19-[2-tri(propan-2-yl)silylethynyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-7-yl]ethynyl]silane has a molecular weight of 669.07 g/mol, XLogP of 13.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[2-[19-[2-tri(propan-2-yl)silylethynyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-7-yl]ethynyl]silane is sourced from PubChem (CID 70938411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).