diethyl-heptadecoxy-(2-methylpentan-3-yloxy)silane

C27H58O2Si — CID 91745000

IUPACdiethyl-heptadecoxy-(2-methylpentan-3-yloxy)silane
SMILESCCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC(CC)C(C)C
InChIInChI=1S/C27H58O2Si/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-30(9-3,10-4)29-27(8-2)26(5)6/h26-27H,7-25H2,1-6H3
InChIKeyOPRZVXVMSILNRZ-UHFFFAOYSA-N
MW442.85 g/mol
LogP9.81
Rot. Bonds23

About diethyl-heptadecoxy-(2-methylpentan-3-yloxy)silane

diethyl-heptadecoxy-(2-methylpentan-3-yloxy)silane (PubChem CID 91745000) has the molecular formula C27H58O2Si and a molecular weight of 442.85 g/mol. Its IUPAC name is diethyl-heptadecoxy-(2-methylpentan-3-yloxy)silane.

Molecular Properties

Compound Namediethyl-heptadecoxy-(2-methylpentan-3-yloxy)silane
PubChem CID91745000
Molecular FormulaC27H58O2Si
Molecular Weight442.85 g/mol
Exact Mass442.42
IUPAC Namediethyl-heptadecoxy-(2-methylpentan-3-yloxy)silane
SMILESCCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC(CC)C(C)C
InChIInChI=1S/C27H58O2Si/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-30(9-3,10-4)29-27(8-2)26(5)6/h26-27H,7-25H2,1-6H3
InChIKeyOPRZVXVMSILNRZ-UHFFFAOYSA-N
XLogP9.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.85
LogP ≤ 59.81
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-(2-methylpentan-3-yloxy)-octadecoxysilane
CID 91745188
diethyl-octadecoxy-pentan-2-yloxysilane
CID 91744997
decoxy-diethyl-nonoxysilane
CID 91743782
diethyl-pentadecoxy-tridecoxysilane
CID 91745757
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841
dodecoxy-diethyl-octoxysilane
CID 91744145
diethyl-hexoxy-undecoxysilane
CID 91742902
diethyl-pentoxy-undecoxysilane
CID 91742318
diethyl-nonoxy-pentoxysilane
CID 91741088
diethyl-(4-methylpentan-2-yloxy)-octadecoxysilane
CID 91745192
decoxy-diethyl-heptan-4-yloxysilane
CID 91742826
ethenyl-hexoxy-methyl-(2-methylpentan-3-yloxy)silane
CID 91736537

Frequently Asked Questions

What is the IUPAC name of diethyl-heptadecoxy-(2-methylpentan-3-yloxy)silane?
The IUPAC name of diethyl-heptadecoxy-(2-methylpentan-3-yloxy)silane (CID 91745000) is diethyl-heptadecoxy-(2-methylpentan-3-yloxy)silane.
What is the SMILES notation for diethyl-heptadecoxy-(2-methylpentan-3-yloxy)silane?
The canonical SMILES for diethyl-heptadecoxy-(2-methylpentan-3-yloxy)silane is CCCCCCCCCCCCCCCCCO[Si](CC)(CC)OC(CC)C(C)C.
What is the InChIKey of diethyl-heptadecoxy-(2-methylpentan-3-yloxy)silane?
The InChIKey is OPRZVXVMSILNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58O2Si/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-30(9-3,10-4)29-27(8-2)26(5)6/h26-27H,7-25H2,1-6H3.
What are the key properties of diethyl-heptadecoxy-(2-methylpentan-3-yloxy)silane?
diethyl-heptadecoxy-(2-methylpentan-3-yloxy)silane has a molecular weight of 442.85 g/mol, XLogP of 9.81, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-heptadecoxy-(2-methylpentan-3-yloxy)silane is sourced from PubChem (CID 91745000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).