trimethyl-[2-(3-methylbut-2-enyl)-3-(8-methylnon-7-enyl)-4-trimethylsilyloxycyclopentyl]oxysilane

C26H52O2Si2 — CID 628619

IUPACtrimethyl-[2-(3-methylbut-2-enyl)-3-(8-methylnon-7-enyl)-4-trimethylsilyloxycyclopentyl]oxysilane
SMILESCC(C)=CCCCCCCC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CC=C(C)C
InChIInChI=1S/C26H52O2Si2/c1-21(2)16-14-12-11-13-15-17-23-24(19-18-22(3)4)26(28-30(8,9)10)20-25(23)27-29(5,6)7/h16,18,23-26H,11-15,17,19-20H2,1-10H3
InChIKeyRZDOPDZMBDSQRN-UHFFFAOYSA-N
MW452.87 g/mol
LogP8.73
Rot. Bonds13

About trimethyl-[2-(3-methylbut-2-enyl)-3-(8-methylnon-7-enyl)-4-trimethylsilyloxycyclopentyl]oxysilane

trimethyl-[2-(3-methylbut-2-enyl)-3-(8-methylnon-7-enyl)-4-trimethylsilyloxycyclopentyl]oxysilane (PubChem CID 628619) has the molecular formula C26H52O2Si2 and a molecular weight of 452.87 g/mol. Its IUPAC name is trimethyl-[2-(3-methylbut-2-enyl)-3-(8-methylnon-7-enyl)-4-trimethylsilyloxycyclopentyl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[2-(3-methylbut-2-enyl)-3-(8-methylnon-7-enyl)-4-trimethylsilyloxycyclopentyl]oxysilane
PubChem CID628619
Molecular FormulaC26H52O2Si2
Molecular Weight452.87 g/mol
Exact Mass452.35
IUPAC Nametrimethyl-[2-(3-methylbut-2-enyl)-3-(8-methylnon-7-enyl)-4-trimethylsilyloxycyclopentyl]oxysilane
SMILESCC(C)=CCCCCCCC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CC=C(C)C
InChIInChI=1S/C26H52O2Si2/c1-21(2)16-14-12-11-13-15-17-23-24(19-18-22(3)4)26(28-30(8,9)10)20-25(23)27-29(5,6)7/h16,18,23-26H,11-15,17,19-20H2,1-10H3
InChIKeyRZDOPDZMBDSQRN-UHFFFAOYSA-N
XLogP8.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.87
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(3-methylbut-2-enyl)-3-(8-methylnon-7-enyl)-4-trimethylsilyloxycyclopentyl]oxysilane?
The IUPAC name of trimethyl-[2-(3-methylbut-2-enyl)-3-(8-methylnon-7-enyl)-4-trimethylsilyloxycyclopentyl]oxysilane (CID 628619) is trimethyl-[2-(3-methylbut-2-enyl)-3-(8-methylnon-7-enyl)-4-trimethylsilyloxycyclopentyl]oxysilane.
What is the SMILES notation for trimethyl-[2-(3-methylbut-2-enyl)-3-(8-methylnon-7-enyl)-4-trimethylsilyloxycyclopentyl]oxysilane?
The canonical SMILES for trimethyl-[2-(3-methylbut-2-enyl)-3-(8-methylnon-7-enyl)-4-trimethylsilyloxycyclopentyl]oxysilane is CC(C)=CCCCCCCC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CC=C(C)C.
What is the InChIKey of trimethyl-[2-(3-methylbut-2-enyl)-3-(8-methylnon-7-enyl)-4-trimethylsilyloxycyclopentyl]oxysilane?
The InChIKey is RZDOPDZMBDSQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O2Si2/c1-21(2)16-14-12-11-13-15-17-23-24(19-18-22(3)4)26(28-30(8,9)10)20-25(23)27-29(5,6)7/h16,18,23-26H,11-15,17,19-20H2,1-10H3.
What are the key properties of trimethyl-[2-(3-methylbut-2-enyl)-3-(8-methylnon-7-enyl)-4-trimethylsilyloxycyclopentyl]oxysilane?
trimethyl-[2-(3-methylbut-2-enyl)-3-(8-methylnon-7-enyl)-4-trimethylsilyloxycyclopentyl]oxysilane has a molecular weight of 452.87 g/mol, XLogP of 8.73, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(3-methylbut-2-enyl)-3-(8-methylnon-7-enyl)-4-trimethylsilyloxycyclopentyl]oxysilane is sourced from PubChem (CID 628619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).