hydroxy-[4-[hydroxy(dimethyl)silyl]-1-methoxy-3,3-dimethyl-1-phenylbutoxy]-dimethylsilane

C17H32O4Si2 — CID 58654760

IUPAChydroxy-[4-[hydroxy(dimethyl)silyl]-1-methoxy-3,3-dimethyl-1-phenylbutoxy]-dimethylsilane
SMILESCOC(CC(C)(C)C[Si](C)(C)O)(O[Si](C)(C)O)c1ccccc1
InChIInChI=1S/C17H32O4Si2/c1-16(2,14-22(4,5)18)13-17(20-3,21-23(6,7)19)15-11-9-8-10-12-15/h8-12,18-19H,13-14H2,1-7H3
InChIKeyDJNBGSNUAHHBBP-UHFFFAOYSA-N
MW356.61 g/mol
LogP3.81
Rot. Bonds8

About hydroxy-[4-[hydroxy(dimethyl)silyl]-1-methoxy-3,3-dimethyl-1-phenylbutoxy]-dimethylsilane

hydroxy-[4-[hydroxy(dimethyl)silyl]-1-methoxy-3,3-dimethyl-1-phenylbutoxy]-dimethylsilane (PubChem CID 58654760) has the molecular formula C17H32O4Si2 and a molecular weight of 356.61 g/mol. Its IUPAC name is hydroxy-[4-[hydroxy(dimethyl)silyl]-1-methoxy-3,3-dimethyl-1-phenylbutoxy]-dimethylsilane.

Molecular Properties

Compound Namehydroxy-[4-[hydroxy(dimethyl)silyl]-1-methoxy-3,3-dimethyl-1-phenylbutoxy]-dimethylsilane
PubChem CID58654760
Molecular FormulaC17H32O4Si2
Molecular Weight356.61 g/mol
Exact Mass356.18
IUPAC Namehydroxy-[4-[hydroxy(dimethyl)silyl]-1-methoxy-3,3-dimethyl-1-phenylbutoxy]-dimethylsilane
SMILESCOC(CC(C)(C)C[Si](C)(C)O)(O[Si](C)(C)O)c1ccccc1
InChIInChI=1S/C17H32O4Si2/c1-16(2,14-22(4,5)18)13-17(20-3,21-23(6,7)19)15-11-9-8-10-12-15/h8-12,18-19H,13-14H2,1-7H3
InChIKeyDJNBGSNUAHHBBP-UHFFFAOYSA-N
XLogP3.81
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.61
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[4-[hydroxy(dimethyl)silyl]-1-methoxy-3,3-dimethyl-1-phenylbutoxy]-dimethylsilane?
The IUPAC name of hydroxy-[4-[hydroxy(dimethyl)silyl]-1-methoxy-3,3-dimethyl-1-phenylbutoxy]-dimethylsilane (CID 58654760) is hydroxy-[4-[hydroxy(dimethyl)silyl]-1-methoxy-3,3-dimethyl-1-phenylbutoxy]-dimethylsilane.
What is the SMILES notation for hydroxy-[4-[hydroxy(dimethyl)silyl]-1-methoxy-3,3-dimethyl-1-phenylbutoxy]-dimethylsilane?
The canonical SMILES for hydroxy-[4-[hydroxy(dimethyl)silyl]-1-methoxy-3,3-dimethyl-1-phenylbutoxy]-dimethylsilane is COC(CC(C)(C)C[Si](C)(C)O)(O[Si](C)(C)O)c1ccccc1.
What is the InChIKey of hydroxy-[4-[hydroxy(dimethyl)silyl]-1-methoxy-3,3-dimethyl-1-phenylbutoxy]-dimethylsilane?
The InChIKey is DJNBGSNUAHHBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4Si2/c1-16(2,14-22(4,5)18)13-17(20-3,21-23(6,7)19)15-11-9-8-10-12-15/h8-12,18-19H,13-14H2,1-7H3.
What are the key properties of hydroxy-[4-[hydroxy(dimethyl)silyl]-1-methoxy-3,3-dimethyl-1-phenylbutoxy]-dimethylsilane?
hydroxy-[4-[hydroxy(dimethyl)silyl]-1-methoxy-3,3-dimethyl-1-phenylbutoxy]-dimethylsilane has a molecular weight of 356.61 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[4-[hydroxy(dimethyl)silyl]-1-methoxy-3,3-dimethyl-1-phenylbutoxy]-dimethylsilane is sourced from PubChem (CID 58654760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).