butyl-dimethyl-[4-methyl-2-(2-methylpropyl)-2-(propoxymethyl)pentoxy]silane

C20H44O2Si — CID 87774329

IUPACbutyl-dimethyl-[4-methyl-2-(2-methylpropyl)-2-(propoxymethyl)pentoxy]silane
SMILESCCCC[Si](C)(C)OCC(COCCC)(CC(C)C)CC(C)C
InChIInChI=1S/C20H44O2Si/c1-9-11-13-23(7,8)22-17-20(14-18(3)4,15-19(5)6)16-21-12-10-2/h18-19H,9-17H2,1-8H3
InChIKeyQKMGTNFVYTXHJY-UHFFFAOYSA-N
MW344.66 g/mol
LogP6.51
Rot. Bonds14

About butyl-dimethyl-[4-methyl-2-(2-methylpropyl)-2-(propoxymethyl)pentoxy]silane

butyl-dimethyl-[4-methyl-2-(2-methylpropyl)-2-(propoxymethyl)pentoxy]silane (PubChem CID 87774329) has the molecular formula C20H44O2Si and a molecular weight of 344.66 g/mol. Its IUPAC name is butyl-dimethyl-[4-methyl-2-(2-methylpropyl)-2-(propoxymethyl)pentoxy]silane.

Molecular Properties

Compound Namebutyl-dimethyl-[4-methyl-2-(2-methylpropyl)-2-(propoxymethyl)pentoxy]silane
PubChem CID87774329
Molecular FormulaC20H44O2Si
Molecular Weight344.66 g/mol
Exact Mass344.31
IUPAC Namebutyl-dimethyl-[4-methyl-2-(2-methylpropyl)-2-(propoxymethyl)pentoxy]silane
SMILESCCCC[Si](C)(C)OCC(COCCC)(CC(C)C)CC(C)C
InChIInChI=1S/C20H44O2Si/c1-9-11-13-23(7,8)22-17-20(14-18(3)4,15-19(5)6)16-21-12-10-2/h18-19H,9-17H2,1-8H3
InChIKeyQKMGTNFVYTXHJY-UHFFFAOYSA-N
XLogP6.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.66
LogP ≤ 56.51
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'}

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Frequently Asked Questions

What is the IUPAC name of butyl-dimethyl-[4-methyl-2-(2-methylpropyl)-2-(propoxymethyl)pentoxy]silane?
The IUPAC name of butyl-dimethyl-[4-methyl-2-(2-methylpropyl)-2-(propoxymethyl)pentoxy]silane (CID 87774329) is butyl-dimethyl-[4-methyl-2-(2-methylpropyl)-2-(propoxymethyl)pentoxy]silane.
What is the SMILES notation for butyl-dimethyl-[4-methyl-2-(2-methylpropyl)-2-(propoxymethyl)pentoxy]silane?
The canonical SMILES for butyl-dimethyl-[4-methyl-2-(2-methylpropyl)-2-(propoxymethyl)pentoxy]silane is CCCC[Si](C)(C)OCC(COCCC)(CC(C)C)CC(C)C.
What is the InChIKey of butyl-dimethyl-[4-methyl-2-(2-methylpropyl)-2-(propoxymethyl)pentoxy]silane?
The InChIKey is QKMGTNFVYTXHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O2Si/c1-9-11-13-23(7,8)22-17-20(14-18(3)4,15-19(5)6)16-21-12-10-2/h18-19H,9-17H2,1-8H3.
What are the key properties of butyl-dimethyl-[4-methyl-2-(2-methylpropyl)-2-(propoxymethyl)pentoxy]silane?
butyl-dimethyl-[4-methyl-2-(2-methylpropyl)-2-(propoxymethyl)pentoxy]silane has a molecular weight of 344.66 g/mol, XLogP of 6.51, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-[4-methyl-2-(2-methylpropyl)-2-(propoxymethyl)pentoxy]silane is sourced from PubChem (CID 87774329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).