1-(4-methylphenyl)siletane

C10H14Si — CID 15134739

IUPAC1-(4-methylphenyl)siletane
SMILESCc1ccc([SiH]2CCC2)cc1
InChIInChI=1S/C10H14Si/c1-9-3-5-10(6-4-9)11-7-2-8-11/h3-6,11H,2,7-8H2,1H3
InChIKeyXSPFYZNBNNSLKS-UHFFFAOYSA-N
MW162.31 g/mol
LogP1.83
Rot. Bonds1

About 1-(4-methylphenyl)siletane

1-(4-methylphenyl)siletane (PubChem CID 15134739) has the molecular formula C10H14Si and a molecular weight of 162.31 g/mol. Its IUPAC name is 1-(4-methylphenyl)siletane.

Molecular Properties

Compound Name1-(4-methylphenyl)siletane
PubChem CID15134739
Molecular FormulaC10H14Si
Molecular Weight162.31 g/mol
Exact Mass162.09
IUPAC Name1-(4-methylphenyl)siletane
SMILESCc1ccc([SiH]2CCC2)cc1
InChIInChI=1S/C10H14Si/c1-9-3-5-10(6-4-9)11-7-2-8-11/h3-6,11H,2,7-8H2,1H3
InChIKeyXSPFYZNBNNSLKS-UHFFFAOYSA-N
XLogP1.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 23228407
CID 23228407
oxane;1,4-xylene
CID 66995829
cobalt;bis(1,4-xylene)
CID 67859603
methane;pentakis(1,4-xylene)
CID 160760083
platinum;1,4-xylene
CID 173034643
azane;cyclobutane;dihydroxy(oxo)phosphanium;1,4-xylene
CID 67894113
1,4-dimethylcyclohexa-1,3-diene;1,4-xylene
CID 142004310
lithium;hydride;1,4-xylene
CID 173349078
potassium;hydride;1,4-xylene
CID 173420414
benzene;bis(1,4-xylene)
CID 159472747
sodium 4-methylselenobenzate
CID 23712547
1-[dichloro(fluoro)methyl]-4-methylbenzene
CID 70232782

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)siletane?
The IUPAC name of 1-(4-methylphenyl)siletane (CID 15134739) is 1-(4-methylphenyl)siletane.
What is the SMILES notation for 1-(4-methylphenyl)siletane?
The canonical SMILES for 1-(4-methylphenyl)siletane is Cc1ccc([SiH]2CCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)siletane?
The InChIKey is XSPFYZNBNNSLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Si/c1-9-3-5-10(6-4-9)11-7-2-8-11/h3-6,11H,2,7-8H2,1H3.
What are the key properties of 1-(4-methylphenyl)siletane?
1-(4-methylphenyl)siletane has a molecular weight of 162.31 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)siletane is sourced from PubChem (CID 15134739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).