trimethyl-[12-methyl-3-propan-2-ylidene-11-(2-trimethylsilylethynyl)tridec-11-en-1,4,9-triynyl]silane

C25H36Si2 — CID 15466552

IUPACtrimethyl-[12-methyl-3-propan-2-ylidene-11-(2-trimethylsilylethynyl)tridec-11-en-1,4,9-triynyl]silane
SMILESCC(C)=C(C#CCCCC#CC(C#C[Si](C)(C)C)=C(C)C)C#C[Si](C)(C)C
InChIInChI=1S/C25H36Si2/c1-22(2)24(18-20-26(5,6)7)16-14-12-11-13-15-17-25(23(3)4)19-21-27(8,9)10/h11-13H2,1-10H3
InChIKeyUCRVAPIBWNYDMG-UHFFFAOYSA-N
MW392.74 g/mol
LogP6.60
Rot. Bonds2

About trimethyl-[12-methyl-3-propan-2-ylidene-11-(2-trimethylsilylethynyl)tridec-11-en-1,4,9-triynyl]silane

trimethyl-[12-methyl-3-propan-2-ylidene-11-(2-trimethylsilylethynyl)tridec-11-en-1,4,9-triynyl]silane (PubChem CID 15466552) has the molecular formula C25H36Si2 and a molecular weight of 392.74 g/mol. Its IUPAC name is trimethyl-[12-methyl-3-propan-2-ylidene-11-(2-trimethylsilylethynyl)tridec-11-en-1,4,9-triynyl]silane.

Molecular Properties

Compound Nametrimethyl-[12-methyl-3-propan-2-ylidene-11-(2-trimethylsilylethynyl)tridec-11-en-1,4,9-triynyl]silane
PubChem CID15466552
Molecular FormulaC25H36Si2
Molecular Weight392.74 g/mol
Exact Mass392.24
IUPAC Nametrimethyl-[12-methyl-3-propan-2-ylidene-11-(2-trimethylsilylethynyl)tridec-11-en-1,4,9-triynyl]silane
SMILESCC(C)=C(C#CCCCC#CC(C#C[Si](C)(C)C)=C(C)C)C#C[Si](C)(C)C
InChIInChI=1S/C25H36Si2/c1-22(2)24(18-20-26(5,6)7)16-14-12-11-13-15-17-25(23(3)4)19-21-27(8,9)10/h11-13H2,1-10H3
InChIKeyUCRVAPIBWNYDMG-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.74
LogP ≤ 56.60
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
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
[(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 14937102

Frequently Asked Questions

What is the IUPAC name of trimethyl-[12-methyl-3-propan-2-ylidene-11-(2-trimethylsilylethynyl)tridec-11-en-1,4,9-triynyl]silane?
The IUPAC name of trimethyl-[12-methyl-3-propan-2-ylidene-11-(2-trimethylsilylethynyl)tridec-11-en-1,4,9-triynyl]silane (CID 15466552) is trimethyl-[12-methyl-3-propan-2-ylidene-11-(2-trimethylsilylethynyl)tridec-11-en-1,4,9-triynyl]silane.
What is the SMILES notation for trimethyl-[12-methyl-3-propan-2-ylidene-11-(2-trimethylsilylethynyl)tridec-11-en-1,4,9-triynyl]silane?
The canonical SMILES for trimethyl-[12-methyl-3-propan-2-ylidene-11-(2-trimethylsilylethynyl)tridec-11-en-1,4,9-triynyl]silane is CC(C)=C(C#CCCCC#CC(C#C[Si](C)(C)C)=C(C)C)C#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[12-methyl-3-propan-2-ylidene-11-(2-trimethylsilylethynyl)tridec-11-en-1,4,9-triynyl]silane?
The InChIKey is UCRVAPIBWNYDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36Si2/c1-22(2)24(18-20-26(5,6)7)16-14-12-11-13-15-17-25(23(3)4)19-21-27(8,9)10/h11-13H2,1-10H3.
What are the key properties of trimethyl-[12-methyl-3-propan-2-ylidene-11-(2-trimethylsilylethynyl)tridec-11-en-1,4,9-triynyl]silane?
trimethyl-[12-methyl-3-propan-2-ylidene-11-(2-trimethylsilylethynyl)tridec-11-en-1,4,9-triynyl]silane has a molecular weight of 392.74 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[12-methyl-3-propan-2-ylidene-11-(2-trimethylsilylethynyl)tridec-11-en-1,4,9-triynyl]silane is sourced from PubChem (CID 15466552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).