trimethyl-[2-[3-methyl-9-(2-trimethylsilylethynyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethynyl]silane

C25H38Si2 — CID 58838699

IUPACtrimethyl-[2-[3-methyl-9-(2-trimethylsilylethynyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethynyl]silane
SMILESCC1C2C3CC4(C#C[Si](C)(C)C)CC5C3CC1(C#C[Si](C)(C)C)CC5C2C4
InChIInChI=1S/C25H38Si2/c1-17-23-21-13-24(8-10-26(2,3)4)12-18-19(21)15-25(17,9-11-27(5,6)7)16-20(18)22(23)14-24/h17-23H,12-16H2,1-7H3
InChIKeyAVHMCHDQBDQOJK-UHFFFAOYSA-N
MW394.75 g/mol
LogP6.07
Rot. Bonds

About trimethyl-[2-[3-methyl-9-(2-trimethylsilylethynyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethynyl]silane

trimethyl-[2-[3-methyl-9-(2-trimethylsilylethynyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethynyl]silane (PubChem CID 58838699) has the molecular formula C25H38Si2 and a molecular weight of 394.75 g/mol. Its IUPAC name is trimethyl-[2-[3-methyl-9-(2-trimethylsilylethynyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[3-methyl-9-(2-trimethylsilylethynyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethynyl]silane
PubChem CID58838699
Molecular FormulaC25H38Si2
Molecular Weight394.75 g/mol
Exact Mass394.25
IUPAC Nametrimethyl-[2-[3-methyl-9-(2-trimethylsilylethynyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethynyl]silane
SMILESCC1C2C3CC4(C#C[Si](C)(C)C)CC5C3CC1(C#C[Si](C)(C)C)CC5C2C4
InChIInChI=1S/C25H38Si2/c1-17-23-21-13-24(8-10-26(2,3)4)12-18-19(21)15-25(17,9-11-27(5,6)7)16-20(18)22(23)14-24/h17-23H,12-16H2,1-7H3
InChIKeyAVHMCHDQBDQOJK-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.75
LogP ≤ 56.07
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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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[3-methyl-9-(2-trimethylsilylethynyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[3-methyl-9-(2-trimethylsilylethynyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethynyl]silane (CID 58838699) is trimethyl-[2-[3-methyl-9-(2-trimethylsilylethynyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[3-methyl-9-(2-trimethylsilylethynyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[3-methyl-9-(2-trimethylsilylethynyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethynyl]silane is CC1C2C3CC4(C#C[Si](C)(C)C)CC5C3CC1(C#C[Si](C)(C)C)CC5C2C4.
What is the InChIKey of trimethyl-[2-[3-methyl-9-(2-trimethylsilylethynyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethynyl]silane?
The InChIKey is AVHMCHDQBDQOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38Si2/c1-17-23-21-13-24(8-10-26(2,3)4)12-18-19(21)15-25(17,9-11-27(5,6)7)16-20(18)22(23)14-24/h17-23H,12-16H2,1-7H3.
What are the key properties of trimethyl-[2-[3-methyl-9-(2-trimethylsilylethynyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethynyl]silane?
trimethyl-[2-[3-methyl-9-(2-trimethylsilylethynyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethynyl]silane has a molecular weight of 394.75 g/mol, XLogP of 6.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[3-methyl-9-(2-trimethylsilylethynyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethynyl]silane is sourced from PubChem (CID 58838699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).