cyclopentyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane

C21H44O2Si — CID 22446974

IUPACcyclopentyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane
SMILESCCO[Si](CC(C)CC(C)(C)CC(C)(C)C)(OCC)C1CCCC1
InChIInChI=1S/C21H44O2Si/c1-9-22-24(23-10-2,19-13-11-12-14-19)16-18(3)15-21(7,8)17-20(4,5)6/h18-19H,9-17H2,1-8H3
InChIKeyJBWYQJULVHSFRX-UHFFFAOYSA-N
MW356.67 g/mol
LogP6.93
Rot. Bonds10

About cyclopentyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane

cyclopentyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane (PubChem CID 22446974) has the molecular formula C21H44O2Si and a molecular weight of 356.67 g/mol. Its IUPAC name is cyclopentyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane.

Molecular Properties

Compound Namecyclopentyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane
PubChem CID22446974
Molecular FormulaC21H44O2Si
Molecular Weight356.67 g/mol
Exact Mass356.31
IUPAC Namecyclopentyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane
SMILESCCO[Si](CC(C)CC(C)(C)CC(C)(C)C)(OCC)C1CCCC1
InChIInChI=1S/C21H44O2Si/c1-9-22-24(23-10-2,19-13-11-12-14-19)16-18(3)15-21(7,8)17-20(4,5)6/h18-19H,9-17H2,1-8H3
InChIKeyJBWYQJULVHSFRX-UHFFFAOYSA-N
XLogP6.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
The IUPAC name of cyclopentyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane (CID 22446974) is cyclopentyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane.
What is the SMILES notation for cyclopentyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
The canonical SMILES for cyclopentyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane is CCO[Si](CC(C)CC(C)(C)CC(C)(C)C)(OCC)C1CCCC1.
What is the InChIKey of cyclopentyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
The InChIKey is JBWYQJULVHSFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O2Si/c1-9-22-24(23-10-2,19-13-11-12-14-19)16-18(3)15-21(7,8)17-20(4,5)6/h18-19H,9-17H2,1-8H3.
What are the key properties of cyclopentyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
cyclopentyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane has a molecular weight of 356.67 g/mol, XLogP of 6.93, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane is sourced from PubChem (CID 22446974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).