trimethyl-[3-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohepten-1-yl]oxysilane

C18H34OSi2 — CID 46848361

IUPACtrimethyl-[3-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohepten-1-yl]oxysilane
SMILESCC1(CCC#C[Si](C)(C)C)C=C(O[Si](C)(C)C)CCCC1
InChIInChI=1S/C18H34OSi2/c1-18(14-10-11-15-20(2,3)4)13-9-8-12-17(16-18)19-21(5,6)7/h16H,8-10,12-14H2,1-7H3
InChIKeyXDHKUJLDIHLXSK-UHFFFAOYSA-N
MW322.64 g/mol
LogP5.96
Rot. Bonds4

About trimethyl-[3-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohepten-1-yl]oxysilane

trimethyl-[3-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohepten-1-yl]oxysilane (PubChem CID 46848361) has the molecular formula C18H34OSi2 and a molecular weight of 322.64 g/mol. Its IUPAC name is trimethyl-[3-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohepten-1-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[3-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohepten-1-yl]oxysilane
PubChem CID46848361
Molecular FormulaC18H34OSi2
Molecular Weight322.64 g/mol
Exact Mass322.21
IUPAC Nametrimethyl-[3-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohepten-1-yl]oxysilane
SMILESCC1(CCC#C[Si](C)(C)C)C=C(O[Si](C)(C)C)CCCC1
InChIInChI=1S/C18H34OSi2/c1-18(14-10-11-15-20(2,3)4)13-9-8-12-17(16-18)19-21(5,6)7/h16H,8-10,12-14H2,1-7H3
InChIKeyXDHKUJLDIHLXSK-UHFFFAOYSA-N
XLogP5.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.64
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[3-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohepten-1-yl]oxysilane?
The IUPAC name of trimethyl-[3-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohepten-1-yl]oxysilane (CID 46848361) is trimethyl-[3-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohepten-1-yl]oxysilane.
What is the SMILES notation for trimethyl-[3-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohepten-1-yl]oxysilane?
The canonical SMILES for trimethyl-[3-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohepten-1-yl]oxysilane is CC1(CCC#C[Si](C)(C)C)C=C(O[Si](C)(C)C)CCCC1.
What is the InChIKey of trimethyl-[3-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohepten-1-yl]oxysilane?
The InChIKey is XDHKUJLDIHLXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34OSi2/c1-18(14-10-11-15-20(2,3)4)13-9-8-12-17(16-18)19-21(5,6)7/h16H,8-10,12-14H2,1-7H3.
What are the key properties of trimethyl-[3-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohepten-1-yl]oxysilane?
trimethyl-[3-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohepten-1-yl]oxysilane has a molecular weight of 322.64 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohepten-1-yl]oxysilane is sourced from PubChem (CID 46848361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).