2-(1,1-diethoxy-2-methylbutyl)silinane

C14H30O2Si — CID 123734978

IUPAC2-(1,1-diethoxy-2-methylbutyl)silinane
SMILESCCOC(OCC)(C(C)CC)C1CCCC[SiH2]1
InChIInChI=1S/C14H30O2Si/c1-5-12(4)14(15-6-2,16-7-3)13-10-8-9-11-17-13/h12-13H,5-11,17H2,1-4H3
InChIKeyIEAIYZYGYIQLHY-UHFFFAOYSA-N
MW258.48 g/mol
LogP3.36
Rot. Bonds7

About 2-(1,1-diethoxy-2-methylbutyl)silinane

2-(1,1-diethoxy-2-methylbutyl)silinane (PubChem CID 123734978) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is 2-(1,1-diethoxy-2-methylbutyl)silinane.

Molecular Properties

Compound Name2-(1,1-diethoxy-2-methylbutyl)silinane
PubChem CID123734978
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name2-(1,1-diethoxy-2-methylbutyl)silinane
SMILESCCOC(OCC)(C(C)CC)C1CCCC[SiH2]1
InChIInChI=1S/C14H30O2Si/c1-5-12(4)14(15-6-2,16-7-3)13-10-8-9-11-17-13/h12-13H,5-11,17H2,1-4H3
InChIKeyIEAIYZYGYIQLHY-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 53.36
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-(1,1-diethoxy-2-methylbutyl)silinane?
The IUPAC name of 2-(1,1-diethoxy-2-methylbutyl)silinane (CID 123734978) is 2-(1,1-diethoxy-2-methylbutyl)silinane.
What is the SMILES notation for 2-(1,1-diethoxy-2-methylbutyl)silinane?
The canonical SMILES for 2-(1,1-diethoxy-2-methylbutyl)silinane is CCOC(OCC)(C(C)CC)C1CCCC[SiH2]1.
What is the InChIKey of 2-(1,1-diethoxy-2-methylbutyl)silinane?
The InChIKey is IEAIYZYGYIQLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-5-12(4)14(15-6-2,16-7-3)13-10-8-9-11-17-13/h12-13H,5-11,17H2,1-4H3.
What are the key properties of 2-(1,1-diethoxy-2-methylbutyl)silinane?
2-(1,1-diethoxy-2-methylbutyl)silinane has a molecular weight of 258.48 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-diethoxy-2-methylbutyl)silinane is sourced from PubChem (CID 123734978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).