1-phenyl-1-(1-phenylsilinan-1-yl)oxysilinane

C22H30OSi2 — CID 3571537

IUPAC1-phenyl-1-(1-phenylsilinan-1-yl)oxysilinane
SMILESc1ccc([Si]2(O[Si]3(c4ccccc4)CCCCC3)CCCCC2)cc1
InChIInChI=1S/C22H30OSi2/c1-5-13-21(14-6-1)24(17-9-3-10-18-24)23-25(19-11-4-12-20-25)22-15-7-2-8-16-22/h1-2,5-8,13-16H,3-4,9-12,17-20H2
InChIKeyNTTNTGGNQYDXHZ-UHFFFAOYSA-N
MW366.65 g/mol
LogP5.08
Rot. Bonds4

About 1-phenyl-1-(1-phenylsilinan-1-yl)oxysilinane

1-phenyl-1-(1-phenylsilinan-1-yl)oxysilinane (PubChem CID 3571537) has the molecular formula C22H30OSi2 and a molecular weight of 366.65 g/mol. Its IUPAC name is 1-phenyl-1-(1-phenylsilinan-1-yl)oxysilinane.

Molecular Properties

Compound Name1-phenyl-1-(1-phenylsilinan-1-yl)oxysilinane
PubChem CID3571537
Molecular FormulaC22H30OSi2
Molecular Weight366.65 g/mol
Exact Mass366.18
IUPAC Name1-phenyl-1-(1-phenylsilinan-1-yl)oxysilinane
SMILESc1ccc([Si]2(O[Si]3(c4ccccc4)CCCCC3)CCCCC2)cc1
InChIInChI=1S/C22H30OSi2/c1-5-13-21(14-6-1)24(17-9-3-10-18-24)23-25(19-11-4-12-20-25)22-15-7-2-8-16-22/h1-2,5-8,13-16H,3-4,9-12,17-20H2
InChIKeyNTTNTGGNQYDXHZ-UHFFFAOYSA-N
XLogP5.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.65
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(1-phenylsilinan-1-yl)oxysilinane?
The IUPAC name of 1-phenyl-1-(1-phenylsilinan-1-yl)oxysilinane (CID 3571537) is 1-phenyl-1-(1-phenylsilinan-1-yl)oxysilinane.
What is the SMILES notation for 1-phenyl-1-(1-phenylsilinan-1-yl)oxysilinane?
The canonical SMILES for 1-phenyl-1-(1-phenylsilinan-1-yl)oxysilinane is c1ccc([Si]2(O[Si]3(c4ccccc4)CCCCC3)CCCCC2)cc1.
What is the InChIKey of 1-phenyl-1-(1-phenylsilinan-1-yl)oxysilinane?
The InChIKey is NTTNTGGNQYDXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30OSi2/c1-5-13-21(14-6-1)24(17-9-3-10-18-24)23-25(19-11-4-12-20-25)22-15-7-2-8-16-22/h1-2,5-8,13-16H,3-4,9-12,17-20H2.
What are the key properties of 1-phenyl-1-(1-phenylsilinan-1-yl)oxysilinane?
1-phenyl-1-(1-phenylsilinan-1-yl)oxysilinane has a molecular weight of 366.65 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(1-phenylsilinan-1-yl)oxysilinane is sourced from PubChem (CID 3571537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).