3-methylbutan-2-yloxy-diphenyl-tridecoxysilane

C30H48O2Si — CID 91744362

IUPAC3-methylbutan-2-yloxy-diphenyl-tridecoxysilane
SMILESCCCCCCCCCCCCCO[Si](OC(C)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H48O2Si/c1-5-6-7-8-9-10-11-12-13-14-21-26-31-33(32-28(4)27(2)3,29-22-17-15-18-23-29)30-24-19-16-20-25-30/h15-20,22-25,27-28H,5-14,21,26H2,1-4H3
InChIKeyRTXJXDBIFLYLBA-UHFFFAOYSA-N
MW468.80 g/mol
LogP7.63
Rot. Bonds18

About 3-methylbutan-2-yloxy-diphenyl-tridecoxysilane

3-methylbutan-2-yloxy-diphenyl-tridecoxysilane (PubChem CID 91744362) has the molecular formula C30H48O2Si and a molecular weight of 468.80 g/mol. Its IUPAC name is 3-methylbutan-2-yloxy-diphenyl-tridecoxysilane.

Molecular Properties

Compound Name3-methylbutan-2-yloxy-diphenyl-tridecoxysilane
PubChem CID91744362
Molecular FormulaC30H48O2Si
Molecular Weight468.80 g/mol
Exact Mass468.34
IUPAC Name3-methylbutan-2-yloxy-diphenyl-tridecoxysilane
SMILESCCCCCCCCCCCCCO[Si](OC(C)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H48O2Si/c1-5-6-7-8-9-10-11-12-13-14-21-26-31-33(32-28(4)27(2)3,29-22-17-15-18-23-29)30-24-19-16-20-25-30/h15-20,22-25,27-28H,5-14,21,26H2,1-4H3
InChIKeyRTXJXDBIFLYLBA-UHFFFAOYSA-N
XLogP7.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.80
LogP ≤ 57.63
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

hexan-2-yloxy-octoxy-diphenylsilane
CID 91742037
heptoxy-hexan-2-yloxy-diphenylsilane
CID 91741501
2-methylpentan-3-yloxy-pentoxy-diphenylsilane
CID 91740058
dodecoxy-heptan-4-yloxy-diphenylsilane
CID 91744015
hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
CID 91733110
heptadecoxy-hexan-3-yloxy-diphenylsilane
CID 91745287
hexan-3-yloxy-diphenyl-undecoxysilane
CID 91743620
octoxy-pent-4-en-2-yloxy-diphenylsilane
CID 91742014
2-chloropropoxy-hexoxy-diphenylsilane
CID 91722793
3-methylpentoxy-octoxy-diphenylsilane
CID 91732735
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
2-fluoroethoxy-octadecoxy-diphenylsilane
CID 91717520

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-yloxy-diphenyl-tridecoxysilane?
The IUPAC name of 3-methylbutan-2-yloxy-diphenyl-tridecoxysilane (CID 91744362) is 3-methylbutan-2-yloxy-diphenyl-tridecoxysilane.
What is the SMILES notation for 3-methylbutan-2-yloxy-diphenyl-tridecoxysilane?
The canonical SMILES for 3-methylbutan-2-yloxy-diphenyl-tridecoxysilane is CCCCCCCCCCCCCO[Si](OC(C)C(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methylbutan-2-yloxy-diphenyl-tridecoxysilane?
The InChIKey is RTXJXDBIFLYLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48O2Si/c1-5-6-7-8-9-10-11-12-13-14-21-26-31-33(32-28(4)27(2)3,29-22-17-15-18-23-29)30-24-19-16-20-25-30/h15-20,22-25,27-28H,5-14,21,26H2,1-4H3.
What are the key properties of 3-methylbutan-2-yloxy-diphenyl-tridecoxysilane?
3-methylbutan-2-yloxy-diphenyl-tridecoxysilane has a molecular weight of 468.80 g/mol, XLogP of 7.63, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-yloxy-diphenyl-tridecoxysilane is sourced from PubChem (CID 91744362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).