ethane;methylsulfonylmethane;trichloro(3-phenylpropyl)silane

C13H23Cl3O2SSi — CID 91053688

IUPACethane;methylsulfonylmethane;trichloro(3-phenylpropyl)silane
SMILESCC.CS(C)(=O)=O.Cl[Si](Cl)(Cl)CCCc1ccccc1
InChIInChI=1S/C9H11Cl3Si.C2H6O2S.C2H6/c10-13(11,12)8-4-7-9-5-2-1-3-6-9;1-5(2,3)4;1-2/h1-3,5-6H,4,7-8H2;1-2H3;1-2H3
InChIKeyGPTSNLFBTPCBOZ-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.96
Rot. Bonds4

About ethane;methylsulfonylmethane;trichloro(3-phenylpropyl)silane

ethane;methylsulfonylmethane;trichloro(3-phenylpropyl)silane (PubChem CID 91053688) has the molecular formula C13H23Cl3O2SSi and a molecular weight of 377.84 g/mol. Its IUPAC name is ethane;methylsulfonylmethane;trichloro(3-phenylpropyl)silane.

Molecular Properties

Compound Nameethane;methylsulfonylmethane;trichloro(3-phenylpropyl)silane
PubChem CID91053688
Molecular FormulaC13H23Cl3O2SSi
Molecular Weight377.84 g/mol
Exact Mass376.03
IUPAC Nameethane;methylsulfonylmethane;trichloro(3-phenylpropyl)silane
SMILESCC.CS(C)(=O)=O.Cl[Si](Cl)(Cl)CCCc1ccccc1
InChIInChI=1S/C9H11Cl3Si.C2H6O2S.C2H6/c10-13(11,12)8-4-7-9-5-2-1-3-6-9;1-5(2,3)4;1-2/h1-3,5-6H,4,7-8H2;1-2H3;1-2H3
InChIKeyGPTSNLFBTPCBOZ-UHFFFAOYSA-N
XLogP4.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trichloro(5-phenylpentyl)silane
CID 59465093
trichloro-[3-(4-phenylphenyl)propyl]silane
CID 69458653
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CID 4606835
trichloro-[4-(4-chlorophenyl)butyl]silane
CID 69458411
methanesulfonic acid;4-phenylbutan-1-ol
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4-chlorobutylbenzene;ethane
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4-phenylbutylbenzene
CID 141301927
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4-(4-phenylbutylsulfonyl)butylbenzene
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methane;4-phenylbutylbenzene
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Frequently Asked Questions

What is the IUPAC name of ethane;methylsulfonylmethane;trichloro(3-phenylpropyl)silane?
The IUPAC name of ethane;methylsulfonylmethane;trichloro(3-phenylpropyl)silane (CID 91053688) is ethane;methylsulfonylmethane;trichloro(3-phenylpropyl)silane.
What is the SMILES notation for ethane;methylsulfonylmethane;trichloro(3-phenylpropyl)silane?
The canonical SMILES for ethane;methylsulfonylmethane;trichloro(3-phenylpropyl)silane is CC.CS(C)(=O)=O.Cl[Si](Cl)(Cl)CCCc1ccccc1.
What is the InChIKey of ethane;methylsulfonylmethane;trichloro(3-phenylpropyl)silane?
The InChIKey is GPTSNLFBTPCBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl3Si.C2H6O2S.C2H6/c10-13(11,12)8-4-7-9-5-2-1-3-6-9;1-5(2,3)4;1-2/h1-3,5-6H,4,7-8H2;1-2H3;1-2H3.
What are the key properties of ethane;methylsulfonylmethane;trichloro(3-phenylpropyl)silane?
ethane;methylsulfonylmethane;trichloro(3-phenylpropyl)silane has a molecular weight of 377.84 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylsulfonylmethane;trichloro(3-phenylpropyl)silane is sourced from PubChem (CID 91053688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).