1-methyl-1-phenoxysiletane

C10H14OSi — CID 139777846

IUPAC1-methyl-1-phenoxysiletane
SMILESC[Si]1(Oc2ccccc2)CCC1
InChIInChI=1S/C10H14OSi/c1-12(8-5-9-12)11-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyQWYTUWDWMRBQQI-UHFFFAOYSA-N
MW178.31 g/mol
LogP3.04
Rot. Bonds2

About 1-methyl-1-phenoxysiletane

1-methyl-1-phenoxysiletane (PubChem CID 139777846) has the molecular formula C10H14OSi and a molecular weight of 178.31 g/mol. Its IUPAC name is 1-methyl-1-phenoxysiletane.

Molecular Properties

Compound Name1-methyl-1-phenoxysiletane
PubChem CID139777846
Molecular FormulaC10H14OSi
Molecular Weight178.31 g/mol
Exact Mass178.08
IUPAC Name1-methyl-1-phenoxysiletane
SMILESC[Si]1(Oc2ccccc2)CCC1
InChIInChI=1S/C10H14OSi/c1-12(8-5-9-12)11-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyQWYTUWDWMRBQQI-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 158800007
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CID 23417317
CID 23417317
anisole;oxolane
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1-methyl-1-phenoxycycloheptane
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acetylene;anisole
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CID 143612065

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-phenoxysiletane?
The IUPAC name of 1-methyl-1-phenoxysiletane (CID 139777846) is 1-methyl-1-phenoxysiletane.
What is the SMILES notation for 1-methyl-1-phenoxysiletane?
The canonical SMILES for 1-methyl-1-phenoxysiletane is C[Si]1(Oc2ccccc2)CCC1.
What is the InChIKey of 1-methyl-1-phenoxysiletane?
The InChIKey is QWYTUWDWMRBQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OSi/c1-12(8-5-9-12)11-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3.
What are the key properties of 1-methyl-1-phenoxysiletane?
1-methyl-1-phenoxysiletane has a molecular weight of 178.31 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-phenoxysiletane is sourced from PubChem (CID 139777846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).