trimethyl-[16-methyl-3-propan-2-ylidene-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,13-triynyl]silane

C29H44Si2 — CID 15423862

IUPACtrimethyl-[16-methyl-3-propan-2-ylidene-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,13-triynyl]silane
SMILESCC(C)=C(C#CCCCCCCCC#CC(C#C[Si](C)(C)C)=C(C)C)C#C[Si](C)(C)C
InChIInChI=1S/C29H44Si2/c1-26(2)28(22-24-30(5,6)7)20-18-16-14-12-11-13-15-17-19-21-29(27(3)4)23-25-31(8,9)10/h11-17H2,1-10H3
InChIKeyNHRCLYSRVUNVEV-UHFFFAOYSA-N
MW448.84 g/mol
LogP8.16
Rot. Bonds6

About trimethyl-[16-methyl-3-propan-2-ylidene-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,13-triynyl]silane

trimethyl-[16-methyl-3-propan-2-ylidene-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,13-triynyl]silane (PubChem CID 15423862) has the molecular formula C29H44Si2 and a molecular weight of 448.84 g/mol. Its IUPAC name is trimethyl-[16-methyl-3-propan-2-ylidene-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,13-triynyl]silane.

Molecular Properties

Compound Nametrimethyl-[16-methyl-3-propan-2-ylidene-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,13-triynyl]silane
PubChem CID15423862
Molecular FormulaC29H44Si2
Molecular Weight448.84 g/mol
Exact Mass448.30
IUPAC Nametrimethyl-[16-methyl-3-propan-2-ylidene-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,13-triynyl]silane
SMILESCC(C)=C(C#CCCCCCCCC#CC(C#C[Si](C)(C)C)=C(C)C)C#C[Si](C)(C)C
InChIInChI=1S/C29H44Si2/c1-26(2)28(22-24-30(5,6)7)20-18-16-14-12-11-13-15-17-19-21-29(27(3)4)23-25-31(8,9)10/h11-17H2,1-10H3
InChIKeyNHRCLYSRVUNVEV-UHFFFAOYSA-N
XLogP8.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.84
LogP ≤ 58.16
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

[4-Methyl-3-[2-tri(propan-2-yl)silylethynyl]pent-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 11133507
Trimethyl-[4-methyl-3-[2-tri(propan-2-yl)silylethynyl]pent-3-en-1-ynyl]silane
CID 15528097
Trimethyl-[6-methyl-5-[2-tri(propan-2-yl)silylethynyl]hept-5-en-1,3-diynyl]silane
CID 101009623
Trimethyl-[3-propan-2-ylidene-7-tri(propan-2-yl)silylhepta-1,4,6-triynyl]silane
CID 10981171
[3-Hexyl-5-[2-tri(propan-2-yl)silylethynyl]undeca-3,4-dien-1-ynyl]-tri(propan-2-yl)silane
CID 12027353
Trimethyl-[14-methyl-3-propan-2-ylidene-13-(2-trimethylsilylethynyl)pentadec-13-en-1,4,11-triynyl]silane
CID 15423861
Trimethyl-[11-methyl-3-propan-2-ylidene-10-(2-trimethylsilylethynyl)dodec-10-en-1,4,8-triynyl]silane
CID 15466551
Trimethyl-[12-methyl-3-propan-2-ylidene-11-(2-trimethylsilylethynyl)tridec-11-en-1,4,9-triynyl]silane
CID 15466552
Trimethyl-[13-methyl-3-propan-2-ylidene-12-(2-trimethylsilylethynyl)tetradec-12-en-1,4,10-triynyl]silane
CID 15466553
3,5-Dibutylnona-3,4-dien-1-ynyl-tri(propan-2-yl)silane
CID 86216613
Trimethyl-[11-methyl-5-propan-2-ylidene-10-[2-tri(propan-2-yl)silylethynyl]dodec-10-en-1,3,6,8-tetraynyl]silane
CID 101009624
[5-Butyl-3-[2-tri(propan-2-yl)silylethynyl]nona-3,4-dien-1-ynyl]-tri(propan-2-yl)silane
CID 101212828

Frequently Asked Questions

What is the IUPAC name of trimethyl-[16-methyl-3-propan-2-ylidene-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,13-triynyl]silane?
The IUPAC name of trimethyl-[16-methyl-3-propan-2-ylidene-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,13-triynyl]silane (CID 15423862) is trimethyl-[16-methyl-3-propan-2-ylidene-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,13-triynyl]silane.
What is the SMILES notation for trimethyl-[16-methyl-3-propan-2-ylidene-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,13-triynyl]silane?
The canonical SMILES for trimethyl-[16-methyl-3-propan-2-ylidene-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,13-triynyl]silane is CC(C)=C(C#CCCCCCCCC#CC(C#C[Si](C)(C)C)=C(C)C)C#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[16-methyl-3-propan-2-ylidene-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,13-triynyl]silane?
The InChIKey is NHRCLYSRVUNVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44Si2/c1-26(2)28(22-24-30(5,6)7)20-18-16-14-12-11-13-15-17-19-21-29(27(3)4)23-25-31(8,9)10/h11-17H2,1-10H3.
What are the key properties of trimethyl-[16-methyl-3-propan-2-ylidene-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,13-triynyl]silane?
trimethyl-[16-methyl-3-propan-2-ylidene-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,13-triynyl]silane has a molecular weight of 448.84 g/mol, XLogP of 8.16, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[16-methyl-3-propan-2-ylidene-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,13-triynyl]silane is sourced from PubChem (CID 15423862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).