dibutoxy-(1,1,2,2,3,3,3-heptafluoropropyl)-methylsilane

C12H21F7O2Si — CID 141324690

IUPACdibutoxy-(1,1,2,2,3,3,3-heptafluoropropyl)-methylsilane
SMILESCCCCO[Si](C)(OCCCC)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H21F7O2Si/c1-4-6-8-20-22(3,21-9-7-5-2)12(18,19)10(13,14)11(15,16)17/h4-9H2,1-3H3
InChIKeyDALSUKORAFZPLR-UHFFFAOYSA-N
MW358.37 g/mol
LogP5.06
Rot. Bonds10

About dibutoxy-(1,1,2,2,3,3,3-heptafluoropropyl)-methylsilane

dibutoxy-(1,1,2,2,3,3,3-heptafluoropropyl)-methylsilane (PubChem CID 141324690) has the molecular formula C12H21F7O2Si and a molecular weight of 358.37 g/mol. Its IUPAC name is dibutoxy-(1,1,2,2,3,3,3-heptafluoropropyl)-methylsilane.

Molecular Properties

Compound Namedibutoxy-(1,1,2,2,3,3,3-heptafluoropropyl)-methylsilane
PubChem CID141324690
Molecular FormulaC12H21F7O2Si
Molecular Weight358.37 g/mol
Exact Mass358.12
IUPAC Namedibutoxy-(1,1,2,2,3,3,3-heptafluoropropyl)-methylsilane
SMILESCCCCO[Si](C)(OCCCC)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H21F7O2Si/c1-4-6-8-20-22(3,21-9-7-5-2)12(18,19)10(13,14)11(15,16)17/h4-9H2,1-3H3
InChIKeyDALSUKORAFZPLR-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.37
LogP ≤ 55.06
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze dibutoxy-(1,1,2,2,3,3,3-heptafluoropropyl)-methylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butoxy-dimethoxy-methylsilane
CID 54136554
dibutoxy-methoxy-methylsilane
CID 525738
2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
CID 151204416
triheptoxy(methyl)silane
CID 525768
tri(icosoxy)-methylsilane
CID 163923848
butoxy-iodo-dimethylsilane
CID 88777497
azane;butoxy-tert-butyl-dimethylsilane
CID 87971025
dibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane
CID 87144867
fluoro(trihexoxy)silane
CID 139977145
(1-bromo-2-methylpropan-2-yl)-hexoxy-dimethylsilane
CID 87488521
dibutyl dipentyl silicate
CID 524713
tributyl pentyl silicate
CID 524737

Frequently Asked Questions

What is the IUPAC name of dibutoxy-(1,1,2,2,3,3,3-heptafluoropropyl)-methylsilane?
The IUPAC name of dibutoxy-(1,1,2,2,3,3,3-heptafluoropropyl)-methylsilane (CID 141324690) is dibutoxy-(1,1,2,2,3,3,3-heptafluoropropyl)-methylsilane.
What is the SMILES notation for dibutoxy-(1,1,2,2,3,3,3-heptafluoropropyl)-methylsilane?
The canonical SMILES for dibutoxy-(1,1,2,2,3,3,3-heptafluoropropyl)-methylsilane is CCCCO[Si](C)(OCCCC)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of dibutoxy-(1,1,2,2,3,3,3-heptafluoropropyl)-methylsilane?
The InChIKey is DALSUKORAFZPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F7O2Si/c1-4-6-8-20-22(3,21-9-7-5-2)12(18,19)10(13,14)11(15,16)17/h4-9H2,1-3H3.
What are the key properties of dibutoxy-(1,1,2,2,3,3,3-heptafluoropropyl)-methylsilane?
dibutoxy-(1,1,2,2,3,3,3-heptafluoropropyl)-methylsilane has a molecular weight of 358.37 g/mol, XLogP of 5.06, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-(1,1,2,2,3,3,3-heptafluoropropyl)-methylsilane is sourced from PubChem (CID 141324690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).