tri(propan-2-yl)-[2-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane

C56H84Si4 — CID 15196660

IUPACtri(propan-2-yl)-[2-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane
SMILESCC(C)[Si](C#C/C1=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)C#CC#C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(/C#C[Si](C(C)C)(C(C)C)C(C)C)C#CC#C1)(C(C)C)C(C)C
InChIInChI=1S/C56H84Si4/c1-41(2)57(42(3)4,43(5)6)37-33-53-29-25-26-31-55(35-39-59(47(13)14,48(15)16)49(17)18)56(36-40-60(50(19)20,51(21)22)52(23)24)32-28-27-30-54(53)34-38-58(44(7)8,45(9)10)46(11)12/h41-52H,1-24H3/b54-53-,56-55-
InChIKeyUDTXFFFBSLKSSV-VPVVXWASSA-N
MW869.63 g/mol
LogP15.49
Rot. Bonds12

About tri(propan-2-yl)-[2-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane

tri(propan-2-yl)-[2-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane (PubChem CID 15196660) has the molecular formula C56H84Si4 and a molecular weight of 869.63 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane
PubChem CID15196660
Molecular FormulaC56H84Si4
Molecular Weight869.63 g/mol
Exact Mass868.57
IUPAC Nametri(propan-2-yl)-[2-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane
SMILESCC(C)[Si](C#C/C1=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)C#CC#C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(/C#C[Si](C(C)C)(C(C)C)C(C)C)C#CC#C1)(C(C)C)C(C)C
InChIInChI=1S/C56H84Si4/c1-41(2)57(42(3)4,43(5)6)37-33-53-29-25-26-31-55(35-39-59(47(13)14,48(15)16)49(17)18)56(36-40-60(50(19)20,51(21)22)52(23)24)32-28-27-30-54(53)34-38-58(44(7)8,45(9)10)46(11)12/h41-52H,1-24H3/b54-53-,56-55-
InChIKeyUDTXFFFBSLKSSV-VPVVXWASSA-N
XLogP15.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.63
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane with MolForge

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Launch Full Analysis

Related Compounds

1,1'-[3,4-Bis[2-(trimethylsilyl)ethynyl]-3-hexene-2,5-diyne-1,6-diyl]bis[1,1,1-trimethylsilane]
CID 11122510
[4-Methyl-3-[2-tri(propan-2-yl)silylethynyl]pent-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 11133507
[4-Ethynyl-3-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 14908282
[3-[2-Chloro-2-tri(propan-2-yl)silylethenylidene]-7-tri(propan-2-yl)silylhepta-1,4,6-triynyl]-tri(propan-2-yl)silane
CID 15258551
Trimethyl-[4-methyl-3-(2-trimethylsilylethynyl)pent-3-en-1-ynyl]silane
CID 15372543
Silane, (2,3-bis(trimethylsilyl)methyl)-2-butene-1,4-diyl)bis(trimethyl-
CID 144042
(3-Ethynyl-4-((triisopropylsilyl)ethynyl)hexa-3-EN-1,5-diyne-1,6-diyl)bis(triisopropylsilane)
CID 14935769
1,6-Bis-(triisopropylsilyl)-3,4-bis[2-(triisopropylsilyl)ethynyl]-3-hexen-1,5-diyne
CID 2756755
[5,10-Di(propan-2-ylidene)-14-tri(propan-2-yl)silyltetradeca-1,3,6,8,11,13-hexaynyl]-tri(propan-2-yl)silane
CID 11017218
Trimethyl-(5-propan-2-ylidene-9-trimethylsilylnona-1,3,6,8-tetraynyl)silane
CID 11066401
[(E)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 11373977
Trimethyl-[10-trimethylsilyl-5,6-bis(4-trimethylsilylbuta-1,3-diynyl)dec-5-en-1,3,7,9-tetraynyl]silane
CID 12124859

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[2-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane?
The IUPAC name of tri(propan-2-yl)-[2-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane (CID 15196660) is tri(propan-2-yl)-[2-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane is CC(C)[Si](C#C/C1=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)C#CC#C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(/C#C[Si](C(C)C)(C(C)C)C(C)C)C#CC#C1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane?
The InChIKey is UDTXFFFBSLKSSV-VPVVXWASSA-N. The full InChI is InChI=1S/C56H84Si4/c1-41(2)57(42(3)4,43(5)6)37-33-53-29-25-26-31-55(35-39-59(47(13)14,48(15)16)49(17)18)56(36-40-60(50(19)20,51(21)22)52(23)24)32-28-27-30-54(53)34-38-58(44(7)8,45(9)10)46(11)12/h41-52H,1-24H3/b54-53-,56-55-.
What are the key properties of tri(propan-2-yl)-[2-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane?
tri(propan-2-yl)-[2-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane has a molecular weight of 869.63 g/mol, XLogP of 15.49, 12 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-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane is sourced from PubChem (CID 15196660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).