chloro-diethyl-octoxysilane

C12H27ClOSi — CID 91735680

IUPACchloro-diethyl-octoxysilane
SMILESCCCCCCCCO[Si](Cl)(CC)CC
InChIInChI=1S/C12H27ClOSi/c1-4-7-8-9-10-11-12-14-15(13,5-2)6-3/h4-12H2,1-3H3
InChIKeyZDSHZIRFFFHGIW-UHFFFAOYSA-N
MW250.89 g/mol
LogP5.08
Rot. Bonds10

About chloro-diethyl-octoxysilane

chloro-diethyl-octoxysilane (PubChem CID 91735680) has the molecular formula C12H27ClOSi and a molecular weight of 250.89 g/mol. Its IUPAC name is chloro-diethyl-octoxysilane.

Molecular Properties

Compound Namechloro-diethyl-octoxysilane
PubChem CID91735680
Molecular FormulaC12H27ClOSi
Molecular Weight250.89 g/mol
Exact Mass250.15
IUPAC Namechloro-diethyl-octoxysilane
SMILESCCCCCCCCO[Si](Cl)(CC)CC
InChIInChI=1S/C12H27ClOSi/c1-4-7-8-9-10-11-12-14-15(13,5-2)6-3/h4-12H2,1-3H3
InChIKeyZDSHZIRFFFHGIW-UHFFFAOYSA-N
XLogP5.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.89
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trichloro(hexoxy)silane
CID 524762
dichloro(diheptoxy)silane
CID 139999080
trichloro(pentoxy)silane
CID 524763
chloro-dodec-9-ynoxy-diethylsilane
CID 91704339
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841
dodecoxy-diethyl-octoxysilane
CID 91744145
decoxy-diethyl-nonoxysilane
CID 91743782
diethyl-pentadecoxy-tridecoxysilane
CID 91745757
diethyl-hexoxy-undecoxysilane
CID 91742902
diethyl-pentoxy-undecoxysilane
CID 91742318
diethyl-nonoxy-pentoxysilane
CID 91741088
decoxy(triethyl)silane
CID 523468

Frequently Asked Questions

What is the IUPAC name of chloro-diethyl-octoxysilane?
The IUPAC name of chloro-diethyl-octoxysilane (CID 91735680) is chloro-diethyl-octoxysilane.
What is the SMILES notation for chloro-diethyl-octoxysilane?
The canonical SMILES for chloro-diethyl-octoxysilane is CCCCCCCCO[Si](Cl)(CC)CC.
What is the InChIKey of chloro-diethyl-octoxysilane?
The InChIKey is ZDSHZIRFFFHGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27ClOSi/c1-4-7-8-9-10-11-12-14-15(13,5-2)6-3/h4-12H2,1-3H3.
What are the key properties of chloro-diethyl-octoxysilane?
chloro-diethyl-octoxysilane has a molecular weight of 250.89 g/mol, XLogP of 5.08, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-diethyl-octoxysilane is sourced from PubChem (CID 91735680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).