trimethyl-[13-methyl-3-propan-2-ylidene-12-(2-trimethylsilylethynyl)tetradec-12-en-1,4,10-triynyl]silane

C26H38Si2 — CID 15466553

IUPACtrimethyl-[13-methyl-3-propan-2-ylidene-12-(2-trimethylsilylethynyl)tetradec-12-en-1,4,10-triynyl]silane
SMILESCC(C)=C(C#CCCCCC#CC(C#C[Si](C)(C)C)=C(C)C)C#C[Si](C)(C)C
InChIInChI=1S/C26H38Si2/c1-23(2)25(19-21-27(5,6)7)17-15-13-11-12-14-16-18-26(24(3)4)20-22-28(8,9)10/h11-14H2,1-10H3
InChIKeyRZDOIQWRMMAULF-UHFFFAOYSA-N
MW406.76 g/mol
LogP6.99
Rot. Bonds3

About trimethyl-[13-methyl-3-propan-2-ylidene-12-(2-trimethylsilylethynyl)tetradec-12-en-1,4,10-triynyl]silane

trimethyl-[13-methyl-3-propan-2-ylidene-12-(2-trimethylsilylethynyl)tetradec-12-en-1,4,10-triynyl]silane (PubChem CID 15466553) has the molecular formula C26H38Si2 and a molecular weight of 406.76 g/mol. Its IUPAC name is trimethyl-[13-methyl-3-propan-2-ylidene-12-(2-trimethylsilylethynyl)tetradec-12-en-1,4,10-triynyl]silane.

Molecular Properties

Compound Nametrimethyl-[13-methyl-3-propan-2-ylidene-12-(2-trimethylsilylethynyl)tetradec-12-en-1,4,10-triynyl]silane
PubChem CID15466553
Molecular FormulaC26H38Si2
Molecular Weight406.76 g/mol
Exact Mass406.25
IUPAC Nametrimethyl-[13-methyl-3-propan-2-ylidene-12-(2-trimethylsilylethynyl)tetradec-12-en-1,4,10-triynyl]silane
SMILESCC(C)=C(C#CCCCCC#CC(C#C[Si](C)(C)C)=C(C)C)C#C[Si](C)(C)C
InChIInChI=1S/C26H38Si2/c1-23(2)25(19-21-27(5,6)7)17-15-13-11-12-14-16-18-26(24(3)4)20-22-28(8,9)10/h11-14H2,1-10H3
InChIKeyRZDOIQWRMMAULF-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.76
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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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
Trimethyl-[4-methyl-3-(2-trimethylsilylethynyl)pent-3-en-1-ynyl]silane
CID 15372543
(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
[(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 14937102
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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[13-methyl-3-propan-2-ylidene-12-(2-trimethylsilylethynyl)tetradec-12-en-1,4,10-triynyl]silane?
The IUPAC name of trimethyl-[13-methyl-3-propan-2-ylidene-12-(2-trimethylsilylethynyl)tetradec-12-en-1,4,10-triynyl]silane (CID 15466553) is trimethyl-[13-methyl-3-propan-2-ylidene-12-(2-trimethylsilylethynyl)tetradec-12-en-1,4,10-triynyl]silane.
What is the SMILES notation for trimethyl-[13-methyl-3-propan-2-ylidene-12-(2-trimethylsilylethynyl)tetradec-12-en-1,4,10-triynyl]silane?
The canonical SMILES for trimethyl-[13-methyl-3-propan-2-ylidene-12-(2-trimethylsilylethynyl)tetradec-12-en-1,4,10-triynyl]silane is CC(C)=C(C#CCCCCC#CC(C#C[Si](C)(C)C)=C(C)C)C#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[13-methyl-3-propan-2-ylidene-12-(2-trimethylsilylethynyl)tetradec-12-en-1,4,10-triynyl]silane?
The InChIKey is RZDOIQWRMMAULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38Si2/c1-23(2)25(19-21-27(5,6)7)17-15-13-11-12-14-16-18-26(24(3)4)20-22-28(8,9)10/h11-14H2,1-10H3.
What are the key properties of trimethyl-[13-methyl-3-propan-2-ylidene-12-(2-trimethylsilylethynyl)tetradec-12-en-1,4,10-triynyl]silane?
trimethyl-[13-methyl-3-propan-2-ylidene-12-(2-trimethylsilylethynyl)tetradec-12-en-1,4,10-triynyl]silane has a molecular weight of 406.76 g/mol, XLogP of 6.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[13-methyl-3-propan-2-ylidene-12-(2-trimethylsilylethynyl)tetradec-12-en-1,4,10-triynyl]silane is sourced from PubChem (CID 15466553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).