dibutoxy-ethyl-propylsilane

C13H30O2Si — CID 22556349

IUPACdibutoxy-ethyl-propylsilane
SMILESCCCCO[Si](CC)(CCC)OCCCC
InChIInChI=1S/C13H30O2Si/c1-5-9-11-14-16(8-4,13-7-3)15-12-10-6-2/h5-13H2,1-4H3
InChIKeyPEFRGITVNPEOKK-UHFFFAOYSA-N
MW246.47 g/mol
LogP4.49
Rot. Bonds11

About dibutoxy-ethyl-propylsilane

dibutoxy-ethyl-propylsilane (PubChem CID 22556349) has the molecular formula C13H30O2Si and a molecular weight of 246.47 g/mol. Its IUPAC name is dibutoxy-ethyl-propylsilane.

Molecular Properties

Compound Namedibutoxy-ethyl-propylsilane
PubChem CID22556349
Molecular FormulaC13H30O2Si
Molecular Weight246.47 g/mol
Exact Mass246.20
IUPAC Namedibutoxy-ethyl-propylsilane
SMILESCCCCO[Si](CC)(CCC)OCCCC
InChIInChI=1S/C13H30O2Si/c1-5-9-11-14-16(8-4,13-7-3)15-12-10-6-2/h5-13H2,1-4H3
InChIKeyPEFRGITVNPEOKK-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 54.49
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'}

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Related Compounds

butyl-dipentoxy-propylsilane
CID 140892782
diethyl-pentoxy-undecoxysilane
CID 91742318
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841
dodecoxy-diethyl-octoxysilane
CID 91744145
diethyl-hexoxy-undecoxysilane
CID 91742902
decoxy-diethyl-nonoxysilane
CID 91743782
diethyl-pentadecoxy-tridecoxysilane
CID 91745757
diethyl-nonoxy-pentoxysilane
CID 91741088
ethyl-hexadecyl-dipropoxysilane
CID 22228686
dibutoxy-ethyl-(2-methylpropyl)silane
CID 87899678
dibutoxy-ethyl-[2-(oxiran-2-ylmethoxy)ethyl]silane
CID 21432023
decyl-dipropoxy-propylsilane
CID 22228664

Frequently Asked Questions

What is the IUPAC name of dibutoxy-ethyl-propylsilane?
The IUPAC name of dibutoxy-ethyl-propylsilane (CID 22556349) is dibutoxy-ethyl-propylsilane.
What is the SMILES notation for dibutoxy-ethyl-propylsilane?
The canonical SMILES for dibutoxy-ethyl-propylsilane is CCCCO[Si](CC)(CCC)OCCCC.
What is the InChIKey of dibutoxy-ethyl-propylsilane?
The InChIKey is PEFRGITVNPEOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O2Si/c1-5-9-11-14-16(8-4,13-7-3)15-12-10-6-2/h5-13H2,1-4H3.
What are the key properties of dibutoxy-ethyl-propylsilane?
dibutoxy-ethyl-propylsilane has a molecular weight of 246.47 g/mol, XLogP of 4.49, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-ethyl-propylsilane is sourced from PubChem (CID 22556349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).