[2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclopentyl]silane

C21H44O2Si — CID 173310147

IUPAC[2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclopentyl]silane
SMILESCCOC1(OCC)CCCC1([SiH3])CC(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C21H44O2Si/c1-9-22-21(23-10-2)13-11-12-20(21,24)15-17(3)14-19(7,8)16-18(4,5)6/h17H,9-16H2,1-8,24H3
InChIKeyFHRGXALZSIDMRB-UHFFFAOYSA-N
MW356.67 g/mol
LogP5.34
Rot. Bonds9

About [2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclopentyl]silane

[2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclopentyl]silane (PubChem CID 173310147) has the molecular formula C21H44O2Si and a molecular weight of 356.67 g/mol. Its IUPAC name is [2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclopentyl]silane.

Molecular Properties

Compound Name[2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclopentyl]silane
PubChem CID173310147
Molecular FormulaC21H44O2Si
Molecular Weight356.67 g/mol
Exact Mass356.31
IUPAC Name[2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclopentyl]silane
SMILESCCOC1(OCC)CCCC1([SiH3])CC(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C21H44O2Si/c1-9-22-21(23-10-2)13-11-12-20(21,24)15-17(3)14-19(7,8)16-18(4,5)6/h17H,9-16H2,1-8,24H3
InChIKeyFHRGXALZSIDMRB-UHFFFAOYSA-N
XLogP5.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclopentyl]silane?
The IUPAC name of [2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclopentyl]silane (CID 173310147) is [2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclopentyl]silane.
What is the SMILES notation for [2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclopentyl]silane?
The canonical SMILES for [2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclopentyl]silane is CCOC1(OCC)CCCC1([SiH3])CC(C)CC(C)(C)CC(C)(C)C.
What is the InChIKey of [2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclopentyl]silane?
The InChIKey is FHRGXALZSIDMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O2Si/c1-9-22-21(23-10-2)13-11-12-20(21,24)15-17(3)14-19(7,8)16-18(4,5)6/h17H,9-16H2,1-8,24H3.
What are the key properties of [2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclopentyl]silane?
[2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclopentyl]silane has a molecular weight of 356.67 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclopentyl]silane is sourced from PubChem (CID 173310147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).