[3-(2-adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane

C21H32Si2 — CID 10688552

IUPAC[3-(2-adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
SMILESC[Si](C)(C)C#CC(C#C[Si](C)(C)C)=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H32Si2/c1-22(2,3)9-7-18(8-10-23(4,5)6)21-19-12-16-11-17(14-19)15-20(21)13-16/h16-17,19-20H,11-15H2,1-6H3
InChIKeyZZJWYCLYRIFCCV-UHFFFAOYSA-N
MW340.66 g/mol
LogP5.50
Rot. Bonds

About [3-(2-adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane

[3-(2-adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane (PubChem CID 10688552) has the molecular formula C21H32Si2 and a molecular weight of 340.66 g/mol. Its IUPAC name is [3-(2-adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane.

Molecular Properties

Compound Name[3-(2-adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
PubChem CID10688552
Molecular FormulaC21H32Si2
Molecular Weight340.66 g/mol
Exact Mass340.20
IUPAC Name[3-(2-adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
SMILESC[Si](C)(C)C#CC(C#C[Si](C)(C)C)=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H32Si2/c1-22(2,3)9-7-18(8-10-23(4,5)6)21-19-12-16-11-17(14-19)15-20(21)13-16/h16-17,19-20H,11-15H2,1-6H3
InChIKeyZZJWYCLYRIFCCV-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.66
LogP ≤ 55.50
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'}

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Related Compounds

Tert-butyl-dimethyl-[(3-trimethylsilyl-2-tricyclo[3.3.1.13,7]dec-1-enyl)silyl]silane
CID 123200834
3,4-Dicyclohexy-1,6-bis(tert-butyldimethylsilyl)-3-hexen-1,5-diyne
CID 2758232
Tert-butyl-[6-[tert-butyl(dimethyl)silyl]-3,4-dicyclohexylhex-3-en-1,5-diynyl]-dimethylsilane
CID 4712672
2-(15-Heptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trienyl)ethynyl-trimethylsilane
CID 10094115
Trimethyl-[2-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane
CID 10685655
Trimethyl-[2-[3-[4-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]buta-1,3-diynyl]-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane
CID 10695054
Trimethyl-[3,6,9-tris(2-adamantylidene)-11-trimethylsilylundeca-1,4,7,10-tetraynyl]silane
CID 11028819
[(E)-3,4-dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 11827786
Trimethyl-[3,6,9,12,15-pentakis(2-adamantylidene)-17-trimethylsilylheptadeca-1,4,7,10,13,16-hexaynyl]silane
CID 15527428
[3,4-Dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 57373168
[(Z)-3,4-dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 100967830
[(E)-3-(1-adamantyl)pent-3-en-1-ynyl]-trimethylsilane
CID 177389159

Frequently Asked Questions

What is the IUPAC name of [3-(2-adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
The IUPAC name of [3-(2-adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane (CID 10688552) is [3-(2-adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane.
What is the SMILES notation for [3-(2-adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
The canonical SMILES for [3-(2-adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane is C[Si](C)(C)C#CC(C#C[Si](C)(C)C)=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of [3-(2-adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
The InChIKey is ZZJWYCLYRIFCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32Si2/c1-22(2,3)9-7-18(8-10-23(4,5)6)21-19-12-16-11-17(14-19)15-20(21)13-16/h16-17,19-20H,11-15H2,1-6H3.
What are the key properties of [3-(2-adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
[3-(2-adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane has a molecular weight of 340.66 g/mol, XLogP of 5.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane is sourced from PubChem (CID 10688552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).