2,2,3,3,4,4,5-heptamethyl-5-phenyloxasilolane

C16H26OSi — CID 13168420

IUPAC2,2,3,3,4,4,5-heptamethyl-5-phenyloxasilolane
SMILESCC1(c2ccccc2)O[Si](C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C16H26OSi/c1-14(2)15(3,4)18(6,7)17-16(14,5)13-11-9-8-10-12-13/h8-12H,1-7H3
InChIKeyHLCDATLPBIFRCI-UHFFFAOYSA-N
MW262.47 g/mol
LogP4.94
Rot. Bonds1

About 2,2,3,3,4,4,5-heptamethyl-5-phenyloxasilolane

2,2,3,3,4,4,5-heptamethyl-5-phenyloxasilolane (PubChem CID 13168420) has the molecular formula C16H26OSi and a molecular weight of 262.47 g/mol. Its IUPAC name is 2,2,3,3,4,4,5-heptamethyl-5-phenyloxasilolane.

Molecular Properties

Compound Name2,2,3,3,4,4,5-heptamethyl-5-phenyloxasilolane
PubChem CID13168420
Molecular FormulaC16H26OSi
Molecular Weight262.47 g/mol
Exact Mass262.18
IUPAC Name2,2,3,3,4,4,5-heptamethyl-5-phenyloxasilolane
SMILESCC1(c2ccccc2)O[Si](C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C16H26OSi/c1-14(2)15(3,4)18(6,7)17-16(14,5)13-11-9-8-10-12-13/h8-12H,1-7H3
InChIKeyHLCDATLPBIFRCI-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 54.94
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 2,2,3,3,4,4,5-heptamethyl-5-phenyloxasilolane?
The IUPAC name of 2,2,3,3,4,4,5-heptamethyl-5-phenyloxasilolane (CID 13168420) is 2,2,3,3,4,4,5-heptamethyl-5-phenyloxasilolane.
What is the SMILES notation for 2,2,3,3,4,4,5-heptamethyl-5-phenyloxasilolane?
The canonical SMILES for 2,2,3,3,4,4,5-heptamethyl-5-phenyloxasilolane is CC1(c2ccccc2)O[Si](C)(C)C(C)(C)C1(C)C.
What is the InChIKey of 2,2,3,3,4,4,5-heptamethyl-5-phenyloxasilolane?
The InChIKey is HLCDATLPBIFRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OSi/c1-14(2)15(3,4)18(6,7)17-16(14,5)13-11-9-8-10-12-13/h8-12H,1-7H3.
What are the key properties of 2,2,3,3,4,4,5-heptamethyl-5-phenyloxasilolane?
2,2,3,3,4,4,5-heptamethyl-5-phenyloxasilolane has a molecular weight of 262.47 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5-heptamethyl-5-phenyloxasilolane is sourced from PubChem (CID 13168420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).