decoxy-diethyl-heptan-4-yloxysilane

C21H46O2Si — CID 91742826

IUPACdecoxy-diethyl-heptan-4-yloxysilane
SMILESCCCCCCCCCCO[Si](CC)(CC)OC(CCC)CCC
InChIInChI=1S/C21H46O2Si/c1-6-11-12-13-14-15-16-17-20-22-24(9-4,10-5)23-21(18-7-2)19-8-3/h21H,6-20H2,1-5H3
InChIKeyHTOCTTCFNMOKBD-UHFFFAOYSA-N
MW358.68 g/mol
LogP7.61
Rot. Bonds18

About decoxy-diethyl-heptan-4-yloxysilane

decoxy-diethyl-heptan-4-yloxysilane (PubChem CID 91742826) has the molecular formula C21H46O2Si and a molecular weight of 358.68 g/mol. Its IUPAC name is decoxy-diethyl-heptan-4-yloxysilane.

Molecular Properties

Compound Namedecoxy-diethyl-heptan-4-yloxysilane
PubChem CID91742826
Molecular FormulaC21H46O2Si
Molecular Weight358.68 g/mol
Exact Mass358.33
IUPAC Namedecoxy-diethyl-heptan-4-yloxysilane
SMILESCCCCCCCCCCO[Si](CC)(CC)OC(CCC)CCC
InChIInChI=1S/C21H46O2Si/c1-6-11-12-13-14-15-16-17-20-22-24(9-4,10-5)23-21(18-7-2)19-8-3/h21H,6-20H2,1-5H3
InChIKeyHTOCTTCFNMOKBD-UHFFFAOYSA-N
XLogP7.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.68
LogP ≤ 57.61
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

diethyl-octadecoxy-octan-4-yloxysilane
CID 91745529
diethyl-hexadecoxy-octan-4-yloxysilane
CID 91745179
diethyl-octadecoxy-pentan-2-yloxysilane
CID 91744997
diethyl-nonoxy-pentoxysilane
CID 91741088
decoxy-diethyl-nonoxysilane
CID 91743782
diethyl-pentadecoxy-tridecoxysilane
CID 91745757
diethyl-hexoxy-undecoxysilane
CID 91742902
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841
dodecoxy-diethyl-octoxysilane
CID 91744145
diethyl-pentoxy-undecoxysilane
CID 91742318
diethyl-(3-methylbutoxy)-pentadecoxysilane
CID 91744142
diethyl-(4-methylpentan-2-yloxy)-octadecoxysilane
CID 91745192

Frequently Asked Questions

What is the IUPAC name of decoxy-diethyl-heptan-4-yloxysilane?
The IUPAC name of decoxy-diethyl-heptan-4-yloxysilane (CID 91742826) is decoxy-diethyl-heptan-4-yloxysilane.
What is the SMILES notation for decoxy-diethyl-heptan-4-yloxysilane?
The canonical SMILES for decoxy-diethyl-heptan-4-yloxysilane is CCCCCCCCCCO[Si](CC)(CC)OC(CCC)CCC.
What is the InChIKey of decoxy-diethyl-heptan-4-yloxysilane?
The InChIKey is HTOCTTCFNMOKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O2Si/c1-6-11-12-13-14-15-16-17-20-22-24(9-4,10-5)23-21(18-7-2)19-8-3/h21H,6-20H2,1-5H3.
What are the key properties of decoxy-diethyl-heptan-4-yloxysilane?
decoxy-diethyl-heptan-4-yloxysilane has a molecular weight of 358.68 g/mol, XLogP of 7.61, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decoxy-diethyl-heptan-4-yloxysilane is sourced from PubChem (CID 91742826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).