butyl-dimethyl-(2-phenoxy-2-phenylethoxy)silane

C20H28O2Si — CID 175703714

IUPACbutyl-dimethyl-(2-phenoxy-2-phenylethoxy)silane
SMILESCCCC[Si](C)(C)OCC(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C20H28O2Si/c1-4-5-16-23(2,3)21-17-20(18-12-8-6-9-13-18)22-19-14-10-7-11-15-19/h6-15,20H,4-5,16-17H2,1-3H3
InChIKeyURLKNEVSTMJNQC-UHFFFAOYSA-N
MW328.53 g/mol
LogP5.83
Rot. Bonds9

About butyl-dimethyl-(2-phenoxy-2-phenylethoxy)silane

butyl-dimethyl-(2-phenoxy-2-phenylethoxy)silane (PubChem CID 175703714) has the molecular formula C20H28O2Si and a molecular weight of 328.53 g/mol. Its IUPAC name is butyl-dimethyl-(2-phenoxy-2-phenylethoxy)silane.

Molecular Properties

Compound Namebutyl-dimethyl-(2-phenoxy-2-phenylethoxy)silane
PubChem CID175703714
Molecular FormulaC20H28O2Si
Molecular Weight328.53 g/mol
Exact Mass328.19
IUPAC Namebutyl-dimethyl-(2-phenoxy-2-phenylethoxy)silane
SMILESCCCC[Si](C)(C)OCC(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C20H28O2Si/c1-4-5-16-23(2,3)21-17-20(18-12-8-6-9-13-18)22-19-14-10-7-11-15-19/h6-15,20H,4-5,16-17H2,1-3H3
InChIKeyURLKNEVSTMJNQC-UHFFFAOYSA-N
XLogP5.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.53
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

butyl-dimethyl-(2-phenylethoxy)silane
CID 601576
3-[butyl(dimethyl)silyl]oxy-2-phenylmethoxypropan-1-ol
CID 70144732
N-(2-phenoxy-2-phenylethyl)propan-1-amine
CID 62452576
(3-bromo-1-phenoxypropyl)benzene
CID 140974911
[butyl(dimethyl)silyl] (2R)-2-hydroxy-2-phenylacetate
CID 70086946
(1R)-1-phenoxypentane-1-thiol
CID 134536551
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
(2-phenoxy-2-phenylethyl) (2S)-2-aminopropanoate
CID 145114679
2-phenoxy-2-phenylethanamine;sulfane
CID 174620608
[1-phenoxy-3-(3-phenoxy-3-phenylpropoxy)propyl]benzene
CID 70632407
2-phenoxy-2-phenylethanamine chloride
CID 21228850
butyl-iodo-methyl-phenoxysilane
CID 154487021

Frequently Asked Questions

What is the IUPAC name of butyl-dimethyl-(2-phenoxy-2-phenylethoxy)silane?
The IUPAC name of butyl-dimethyl-(2-phenoxy-2-phenylethoxy)silane (CID 175703714) is butyl-dimethyl-(2-phenoxy-2-phenylethoxy)silane.
What is the SMILES notation for butyl-dimethyl-(2-phenoxy-2-phenylethoxy)silane?
The canonical SMILES for butyl-dimethyl-(2-phenoxy-2-phenylethoxy)silane is CCCC[Si](C)(C)OCC(Oc1ccccc1)c1ccccc1.
What is the InChIKey of butyl-dimethyl-(2-phenoxy-2-phenylethoxy)silane?
The InChIKey is URLKNEVSTMJNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2Si/c1-4-5-16-23(2,3)21-17-20(18-12-8-6-9-13-18)22-19-14-10-7-11-15-19/h6-15,20H,4-5,16-17H2,1-3H3.
What are the key properties of butyl-dimethyl-(2-phenoxy-2-phenylethoxy)silane?
butyl-dimethyl-(2-phenoxy-2-phenylethoxy)silane has a molecular weight of 328.53 g/mol, XLogP of 5.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-(2-phenoxy-2-phenylethoxy)silane is sourced from PubChem (CID 175703714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).