ethane;1,1,2-triethoxysilinane

C13H30O3Si — CID 174650562

IUPACethane;1,1,2-triethoxysilinane
SMILESCC.CCOC1CCCC[Si]1(OCC)OCC
InChIInChI=1S/C11H24O3Si.C2H6/c1-4-12-11-9-7-8-10-15(11,13-5-2)14-6-3;1-2/h11H,4-10H2,1-3H3;1-2H3
InChIKeyPNJPHENPZIZHEK-UHFFFAOYSA-N
MW262.47 g/mol
LogP3.66
Rot. Bonds6

About ethane;1,1,2-triethoxysilinane

ethane;1,1,2-triethoxysilinane (PubChem CID 174650562) has the molecular formula C13H30O3Si and a molecular weight of 262.47 g/mol. Its IUPAC name is ethane;1,1,2-triethoxysilinane.

Molecular Properties

Compound Nameethane;1,1,2-triethoxysilinane
PubChem CID174650562
Molecular FormulaC13H30O3Si
Molecular Weight262.47 g/mol
Exact Mass262.20
IUPAC Nameethane;1,1,2-triethoxysilinane
SMILESCC.CCOC1CCCC[Si]1(OCC)OCC
InChIInChI=1S/C11H24O3Si.C2H6/c1-4-12-11-9-7-8-10-15(11,13-5-2)14-6-3;1-2/h11H,4-10H2,1-3H3;1-2H3
InChIKeyPNJPHENPZIZHEK-UHFFFAOYSA-N
XLogP3.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1,1'-biphenyl;1,1,2-triethoxysilinane
CID 175295095
trans-(1R,2R)-1,2-diethoxycyclohexane
CID 13170081
methane;1,1,2-trimethoxysilinane
CID 174603473
ethoxycyclooctane
CID 13427982
azane;ethoxycyclooctane
CID 70271275
ethane;1-ethoxy-4-methylcyclohexane
CID 145107105
1,4-diethoxy-1,4-dimethyl-1,4-disilinane
CID 140867723
(2R)-1-ethoxy-2-fluorocyclododecane
CID 177416106
2,2-diethoxythiasilinane
CID 163262157
2-ethoxycyclooctan-1-ol
CID 18953000
2-cyclopropyl-1,1,2-triethoxysilinane
CID 174341764
ethoxycyclopentane;methoxymethane;propane-1,2-diol
CID 66606332

Frequently Asked Questions

What is the IUPAC name of ethane;1,1,2-triethoxysilinane?
The IUPAC name of ethane;1,1,2-triethoxysilinane (CID 174650562) is ethane;1,1,2-triethoxysilinane.
What is the SMILES notation for ethane;1,1,2-triethoxysilinane?
The canonical SMILES for ethane;1,1,2-triethoxysilinane is CC.CCOC1CCCC[Si]1(OCC)OCC.
What is the InChIKey of ethane;1,1,2-triethoxysilinane?
The InChIKey is PNJPHENPZIZHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si.C2H6/c1-4-12-11-9-7-8-10-15(11,13-5-2)14-6-3;1-2/h11H,4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;1,1,2-triethoxysilinane?
ethane;1,1,2-triethoxysilinane has a molecular weight of 262.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,2-triethoxysilinane is sourced from PubChem (CID 174650562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).