dimethyl-pentoxy-(2-propan-2-ylphenoxy)silane

C16H28O2Si — CID 91727118

IUPACdimethyl-pentoxy-(2-propan-2-ylphenoxy)silane
SMILESCCCCCO[Si](C)(C)Oc1ccccc1C(C)C
InChIInChI=1S/C16H28O2Si/c1-6-7-10-13-17-19(4,5)18-16-12-9-8-11-15(16)14(2)3/h8-9,11-12,14H,6-7,10,13H2,1-5H3
InChIKeyAVKNTKOJNHQPMG-UHFFFAOYSA-N
MW280.48 g/mol
LogP5.10
Rot. Bonds8

About dimethyl-pentoxy-(2-propan-2-ylphenoxy)silane

dimethyl-pentoxy-(2-propan-2-ylphenoxy)silane (PubChem CID 91727118) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is dimethyl-pentoxy-(2-propan-2-ylphenoxy)silane.

Molecular Properties

Compound Namedimethyl-pentoxy-(2-propan-2-ylphenoxy)silane
PubChem CID91727118
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Namedimethyl-pentoxy-(2-propan-2-ylphenoxy)silane
SMILESCCCCCO[Si](C)(C)Oc1ccccc1C(C)C
InChIInChI=1S/C16H28O2Si/c1-6-7-10-13-17-19(4,5)18-16-12-9-8-11-15(16)14(2)3/h8-9,11-12,14H,6-7,10,13H2,1-5H3
InChIKeyAVKNTKOJNHQPMG-UHFFFAOYSA-N
XLogP5.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.48
LogP ≤ 55.10
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-pentoxy-(2-propan-2-ylphenoxy)silane?
The IUPAC name of dimethyl-pentoxy-(2-propan-2-ylphenoxy)silane (CID 91727118) is dimethyl-pentoxy-(2-propan-2-ylphenoxy)silane.
What is the SMILES notation for dimethyl-pentoxy-(2-propan-2-ylphenoxy)silane?
The canonical SMILES for dimethyl-pentoxy-(2-propan-2-ylphenoxy)silane is CCCCCO[Si](C)(C)Oc1ccccc1C(C)C.
What is the InChIKey of dimethyl-pentoxy-(2-propan-2-ylphenoxy)silane?
The InChIKey is AVKNTKOJNHQPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-6-7-10-13-17-19(4,5)18-16-12-9-8-11-15(16)14(2)3/h8-9,11-12,14H,6-7,10,13H2,1-5H3.
What are the key properties of dimethyl-pentoxy-(2-propan-2-ylphenoxy)silane?
dimethyl-pentoxy-(2-propan-2-ylphenoxy)silane has a molecular weight of 280.48 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-pentoxy-(2-propan-2-ylphenoxy)silane is sourced from PubChem (CID 91727118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).