hexan-3-yloxy-diphenyl-undecoxysilane

C29H46O2Si — CID 91743620

IUPAChexan-3-yloxy-diphenyl-undecoxysilane
SMILESCCCCCCCCCCCO[Si](OC(CC)CCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H46O2Si/c1-4-7-8-9-10-11-12-13-20-26-30-32(28-22-16-14-17-23-28,29-24-18-15-19-25-29)31-27(6-3)21-5-2/h14-19,22-25,27H,4-13,20-21,26H2,1-3H3
InChIKeyCLFFYUOBKWPBFO-UHFFFAOYSA-N
MW454.77 g/mol
LogP7.39
Rot. Bonds18

About hexan-3-yloxy-diphenyl-undecoxysilane

hexan-3-yloxy-diphenyl-undecoxysilane (PubChem CID 91743620) has the molecular formula C29H46O2Si and a molecular weight of 454.77 g/mol. Its IUPAC name is hexan-3-yloxy-diphenyl-undecoxysilane.

Molecular Properties

Compound Namehexan-3-yloxy-diphenyl-undecoxysilane
PubChem CID91743620
Molecular FormulaC29H46O2Si
Molecular Weight454.77 g/mol
Exact Mass454.33
IUPAC Namehexan-3-yloxy-diphenyl-undecoxysilane
SMILESCCCCCCCCCCCO[Si](OC(CC)CCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H46O2Si/c1-4-7-8-9-10-11-12-13-20-26-30-32(28-22-16-14-17-23-28,29-24-18-15-19-25-29)31-27(6-3)21-5-2/h14-19,22-25,27H,4-13,20-21,26H2,1-3H3
InChIKeyCLFFYUOBKWPBFO-UHFFFAOYSA-N
XLogP7.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.77
LogP ≤ 57.39
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

heptadecoxy-hexan-3-yloxy-diphenylsilane
CID 91745287
dodecoxy-heptan-4-yloxy-diphenylsilane
CID 91744015
hexan-2-yloxy-octoxy-diphenylsilane
CID 91742037
heptoxy-hexan-2-yloxy-diphenylsilane
CID 91741501
3-methylbutan-2-yloxy-diphenyl-tridecoxysilane
CID 91744362
hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
CID 91733110
3-methylpentoxy-octoxy-diphenylsilane
CID 91732735
2-methylpentan-3-yloxy-pentoxy-diphenylsilane
CID 91740058
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
2-fluoroethoxy-octadecoxy-diphenylsilane
CID 91717520
octoxy-pent-4-en-2-yloxy-diphenylsilane
CID 91742014
hexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane
CID 91732710

Frequently Asked Questions

What is the IUPAC name of hexan-3-yloxy-diphenyl-undecoxysilane?
The IUPAC name of hexan-3-yloxy-diphenyl-undecoxysilane (CID 91743620) is hexan-3-yloxy-diphenyl-undecoxysilane.
What is the SMILES notation for hexan-3-yloxy-diphenyl-undecoxysilane?
The canonical SMILES for hexan-3-yloxy-diphenyl-undecoxysilane is CCCCCCCCCCCO[Si](OC(CC)CCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of hexan-3-yloxy-diphenyl-undecoxysilane?
The InChIKey is CLFFYUOBKWPBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46O2Si/c1-4-7-8-9-10-11-12-13-20-26-30-32(28-22-16-14-17-23-28,29-24-18-15-19-25-29)31-27(6-3)21-5-2/h14-19,22-25,27H,4-13,20-21,26H2,1-3H3.
What are the key properties of hexan-3-yloxy-diphenyl-undecoxysilane?
hexan-3-yloxy-diphenyl-undecoxysilane has a molecular weight of 454.77 g/mol, XLogP of 7.39, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-3-yloxy-diphenyl-undecoxysilane is sourced from PubChem (CID 91743620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).