dimethyl-[4-(2-phenylpropan-2-yl)phenoxy]-undecoxysilane

C28H44O2Si — CID 91745154

IUPACdimethyl-[4-(2-phenylpropan-2-yl)phenoxy]-undecoxysilane
SMILESCCCCCCCCCCCO[Si](C)(C)Oc1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C28H44O2Si/c1-6-7-8-9-10-11-12-13-17-24-29-31(4,5)30-27-22-20-26(21-23-27)28(2,3)25-18-15-14-16-19-25/h14-16,18-23H,6-13,17,24H2,1-5H3
InChIKeyVEPLOUUEPZMZNX-UHFFFAOYSA-N
MW440.74 g/mol
LogP8.64
Rot. Bonds15

About dimethyl-[4-(2-phenylpropan-2-yl)phenoxy]-undecoxysilane

dimethyl-[4-(2-phenylpropan-2-yl)phenoxy]-undecoxysilane (PubChem CID 91745154) has the molecular formula C28H44O2Si and a molecular weight of 440.74 g/mol. Its IUPAC name is dimethyl-[4-(2-phenylpropan-2-yl)phenoxy]-undecoxysilane.

Molecular Properties

Compound Namedimethyl-[4-(2-phenylpropan-2-yl)phenoxy]-undecoxysilane
PubChem CID91745154
Molecular FormulaC28H44O2Si
Molecular Weight440.74 g/mol
Exact Mass440.31
IUPAC Namedimethyl-[4-(2-phenylpropan-2-yl)phenoxy]-undecoxysilane
SMILESCCCCCCCCCCCO[Si](C)(C)Oc1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C28H44O2Si/c1-6-7-8-9-10-11-12-13-17-24-29-31(4,5)30-27-22-20-26(21-23-27)28(2,3)25-18-15-14-16-19-25/h14-16,18-23H,6-13,17,24H2,1-5H3
InChIKeyVEPLOUUEPZMZNX-UHFFFAOYSA-N
XLogP8.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.74
LogP ≤ 58.64
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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Frequently Asked Questions

What is the IUPAC name of dimethyl-[4-(2-phenylpropan-2-yl)phenoxy]-undecoxysilane?
The IUPAC name of dimethyl-[4-(2-phenylpropan-2-yl)phenoxy]-undecoxysilane (CID 91745154) is dimethyl-[4-(2-phenylpropan-2-yl)phenoxy]-undecoxysilane.
What is the SMILES notation for dimethyl-[4-(2-phenylpropan-2-yl)phenoxy]-undecoxysilane?
The canonical SMILES for dimethyl-[4-(2-phenylpropan-2-yl)phenoxy]-undecoxysilane is CCCCCCCCCCCO[Si](C)(C)Oc1ccc(C(C)(C)c2ccccc2)cc1.
What is the InChIKey of dimethyl-[4-(2-phenylpropan-2-yl)phenoxy]-undecoxysilane?
The InChIKey is VEPLOUUEPZMZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44O2Si/c1-6-7-8-9-10-11-12-13-17-24-29-31(4,5)30-27-22-20-26(21-23-27)28(2,3)25-18-15-14-16-19-25/h14-16,18-23H,6-13,17,24H2,1-5H3.
What are the key properties of dimethyl-[4-(2-phenylpropan-2-yl)phenoxy]-undecoxysilane?
dimethyl-[4-(2-phenylpropan-2-yl)phenoxy]-undecoxysilane has a molecular weight of 440.74 g/mol, XLogP of 8.64, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-(2-phenylpropan-2-yl)phenoxy]-undecoxysilane is sourced from PubChem (CID 91745154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).