butan-2-yl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane

C20H44O2Si — CID 19076221

IUPACbutan-2-yl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane
SMILESCCO[Si](CC(C)CC(C)(C)CC(C)(C)C)(OCC)C(C)CC
InChIInChI=1S/C20H44O2Si/c1-11-18(5)23(21-12-2,22-13-3)15-17(4)14-20(9,10)16-19(6,7)8/h17-18H,11-16H2,1-10H3
InChIKeyGXDQWCVACWOXQJ-UHFFFAOYSA-N
MW344.66 g/mol
LogP6.79
Rot. Bonds11

About butan-2-yl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane

butan-2-yl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane (PubChem CID 19076221) has the molecular formula C20H44O2Si and a molecular weight of 344.66 g/mol. Its IUPAC name is butan-2-yl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane.

Molecular Properties

Compound Namebutan-2-yl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane
PubChem CID19076221
Molecular FormulaC20H44O2Si
Molecular Weight344.66 g/mol
Exact Mass344.31
IUPAC Namebutan-2-yl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane
SMILESCCO[Si](CC(C)CC(C)(C)CC(C)(C)C)(OCC)C(C)CC
InChIInChI=1S/C20H44O2Si/c1-11-18(5)23(21-12-2,22-13-3)15-17(4)14-20(9,10)16-19(6,7)8/h17-18H,11-16H2,1-10H3
InChIKeyGXDQWCVACWOXQJ-UHFFFAOYSA-N
XLogP6.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.66
LogP ≤ 56.79
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 butan-2-yl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
The IUPAC name of butan-2-yl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane (CID 19076221) is butan-2-yl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane.
What is the SMILES notation for butan-2-yl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
The canonical SMILES for butan-2-yl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane is CCO[Si](CC(C)CC(C)(C)CC(C)(C)C)(OCC)C(C)CC.
What is the InChIKey of butan-2-yl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
The InChIKey is GXDQWCVACWOXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O2Si/c1-11-18(5)23(21-12-2,22-13-3)15-17(4)14-20(9,10)16-19(6,7)8/h17-18H,11-16H2,1-10H3.
What are the key properties of butan-2-yl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
butan-2-yl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane has a molecular weight of 344.66 g/mol, XLogP of 6.79, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane is sourced from PubChem (CID 19076221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).