3-(2-butoxyethoxy)butyl-dimethyl-(oxan-2-yl)silane

C17H36O3Si — CID 57017829

IUPAC3-(2-butoxyethoxy)butyl-dimethyl-(oxan-2-yl)silane
SMILESCCCCOCCOC(C)CC[Si](C)(C)C1CCCCO1
InChIInChI=1S/C17H36O3Si/c1-5-6-11-18-13-14-19-16(2)10-15-21(3,4)17-9-7-8-12-20-17/h16-17H,5-15H2,1-4H3
InChIKeyCMDYAOWDWRRITM-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.41
Rot. Bonds11

About 3-(2-butoxyethoxy)butyl-dimethyl-(oxan-2-yl)silane

3-(2-butoxyethoxy)butyl-dimethyl-(oxan-2-yl)silane (PubChem CID 57017829) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)butyl-dimethyl-(oxan-2-yl)silane.

Molecular Properties

Compound Name3-(2-butoxyethoxy)butyl-dimethyl-(oxan-2-yl)silane
PubChem CID57017829
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Name3-(2-butoxyethoxy)butyl-dimethyl-(oxan-2-yl)silane
SMILESCCCCOCCOC(C)CC[Si](C)(C)C1CCCCO1
InChIInChI=1S/C17H36O3Si/c1-5-6-11-18-13-14-19-16(2)10-15-21(3,4)17-9-7-8-12-20-17/h16-17H,5-15H2,1-4H3
InChIKeyCMDYAOWDWRRITM-UHFFFAOYSA-N
XLogP4.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(2-butoxyethoxy)butyl-dimethyl-(oxan-2-yl)silane?
The IUPAC name of 3-(2-butoxyethoxy)butyl-dimethyl-(oxan-2-yl)silane (CID 57017829) is 3-(2-butoxyethoxy)butyl-dimethyl-(oxan-2-yl)silane.
What is the SMILES notation for 3-(2-butoxyethoxy)butyl-dimethyl-(oxan-2-yl)silane?
The canonical SMILES for 3-(2-butoxyethoxy)butyl-dimethyl-(oxan-2-yl)silane is CCCCOCCOC(C)CC[Si](C)(C)C1CCCCO1.
What is the InChIKey of 3-(2-butoxyethoxy)butyl-dimethyl-(oxan-2-yl)silane?
The InChIKey is CMDYAOWDWRRITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-5-6-11-18-13-14-19-16(2)10-15-21(3,4)17-9-7-8-12-20-17/h16-17H,5-15H2,1-4H3.
What are the key properties of 3-(2-butoxyethoxy)butyl-dimethyl-(oxan-2-yl)silane?
3-(2-butoxyethoxy)butyl-dimethyl-(oxan-2-yl)silane has a molecular weight of 316.56 g/mol, XLogP of 4.41, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)butyl-dimethyl-(oxan-2-yl)silane is sourced from PubChem (CID 57017829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).