dodecoxy-heptan-4-yloxy-diphenylsilane

C31H50O2Si — CID 91744015

IUPACdodecoxy-heptan-4-yloxy-diphenylsilane
SMILESCCCCCCCCCCCCO[Si](OC(CCC)CCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H50O2Si/c1-4-7-8-9-10-11-12-13-14-21-28-32-34(30-24-17-15-18-25-30,31-26-19-16-20-27-31)33-29(22-5-2)23-6-3/h15-20,24-27,29H,4-14,21-23,28H2,1-3H3
InChIKeyZXYWSLWFDSXBEF-UHFFFAOYSA-N
MW482.83 g/mol
LogP8.17
Rot. Bonds20

About dodecoxy-heptan-4-yloxy-diphenylsilane

dodecoxy-heptan-4-yloxy-diphenylsilane (PubChem CID 91744015) has the molecular formula C31H50O2Si and a molecular weight of 482.83 g/mol. Its IUPAC name is dodecoxy-heptan-4-yloxy-diphenylsilane.

Molecular Properties

Compound Namedodecoxy-heptan-4-yloxy-diphenylsilane
PubChem CID91744015
Molecular FormulaC31H50O2Si
Molecular Weight482.83 g/mol
Exact Mass482.36
IUPAC Namedodecoxy-heptan-4-yloxy-diphenylsilane
SMILESCCCCCCCCCCCCO[Si](OC(CCC)CCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H50O2Si/c1-4-7-8-9-10-11-12-13-14-21-28-32-34(30-24-17-15-18-25-30,31-26-19-16-20-27-31)33-29(22-5-2)23-6-3/h15-20,24-27,29H,4-14,21-23,28H2,1-3H3
InChIKeyZXYWSLWFDSXBEF-UHFFFAOYSA-N
XLogP8.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.83
LogP ≤ 58.17
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
hexan-3-yloxy-diphenyl-undecoxysilane
CID 91743620
heptoxy-hexan-2-yloxy-diphenylsilane
CID 91741501
hexan-2-yloxy-octoxy-diphenylsilane
CID 91742037
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 dodecoxy-heptan-4-yloxy-diphenylsilane?
The IUPAC name of dodecoxy-heptan-4-yloxy-diphenylsilane (CID 91744015) is dodecoxy-heptan-4-yloxy-diphenylsilane.
What is the SMILES notation for dodecoxy-heptan-4-yloxy-diphenylsilane?
The canonical SMILES for dodecoxy-heptan-4-yloxy-diphenylsilane is CCCCCCCCCCCCO[Si](OC(CCC)CCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of dodecoxy-heptan-4-yloxy-diphenylsilane?
The InChIKey is ZXYWSLWFDSXBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H50O2Si/c1-4-7-8-9-10-11-12-13-14-21-28-32-34(30-24-17-15-18-25-30,31-26-19-16-20-27-31)33-29(22-5-2)23-6-3/h15-20,24-27,29H,4-14,21-23,28H2,1-3H3.
What are the key properties of dodecoxy-heptan-4-yloxy-diphenylsilane?
dodecoxy-heptan-4-yloxy-diphenylsilane has a molecular weight of 482.83 g/mol, XLogP of 8.17, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxy-heptan-4-yloxy-diphenylsilane is sourced from PubChem (CID 91744015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).