di(hexan-3-yloxy)silane

C12H28O2Si — CID 123572995

IUPACdi(hexan-3-yloxy)silane
SMILESCCCC(CC)O[SiH2]OC(CC)CCC
InChIInChI=1S/C12H28O2Si/c1-5-9-11(7-3)13-15-14-12(8-4)10-6-2/h11-12H,5-10,15H2,1-4H3
InChIKeyBHAPQZNNKRYPJZ-UHFFFAOYSA-N
MW232.44 g/mol
LogP3.18
Rot. Bonds10

About di(hexan-3-yloxy)silane

di(hexan-3-yloxy)silane (PubChem CID 123572995) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is di(hexan-3-yloxy)silane.

Molecular Properties

Compound Namedi(hexan-3-yloxy)silane
PubChem CID123572995
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Namedi(hexan-3-yloxy)silane
SMILESCCCC(CC)O[SiH2]OC(CC)CCC
InChIInChI=1S/C12H28O2Si/c1-5-9-11(7-3)13-15-14-12(8-4)10-6-2/h11-12H,5-10,15H2,1-4H3
InChIKeyBHAPQZNNKRYPJZ-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Silane, dimethyl(3-hexyloxy)butoxy-
CID 91730324
Dihexoxysilane
CID 13797387
Tris(propan-2-yloxy)silane
CID 15722916
Tetrahexan-3-yl silicate
CID 21446545
Hexan-3-yloxy(trihydroxy)silane
CID 53786294
Di(hexan-3-yloxy)-sulfanylidenesilane
CID 57259552
Methoxy-methyl-pentan-2-yloxysilane
CID 59070440
Oxo-di(pentan-2-yloxy)silane
CID 87451686
Di(heptan-4-yloxy)-oxosilane
CID 87451998
Heptan-4-yloxy-hydroxy-oxosilane
CID 87451999
Oxo-di(pentan-3-yloxy)silane
CID 87452007
Diethoxy-methyl-pentan-2-yloxysilane
CID 87554135

Frequently Asked Questions

What is the IUPAC name of di(hexan-3-yloxy)silane?
The IUPAC name of di(hexan-3-yloxy)silane (CID 123572995) is di(hexan-3-yloxy)silane.
What is the SMILES notation for di(hexan-3-yloxy)silane?
The canonical SMILES for di(hexan-3-yloxy)silane is CCCC(CC)O[SiH2]OC(CC)CCC.
What is the InChIKey of di(hexan-3-yloxy)silane?
The InChIKey is BHAPQZNNKRYPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-5-9-11(7-3)13-15-14-12(8-4)10-6-2/h11-12H,5-10,15H2,1-4H3.
What are the key properties of di(hexan-3-yloxy)silane?
di(hexan-3-yloxy)silane has a molecular weight of 232.44 g/mol, XLogP of 3.18, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(hexan-3-yloxy)silane is sourced from PubChem (CID 123572995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).