prop-2-enylbenzene;silicic acid;sulfane

C9H16O4SSi — CID 174871791

IUPACprop-2-enylbenzene;silicic acid;sulfane
SMILESC=CCc1ccccc1.O[Si](O)(O)O.S
InChIInChI=1S/C9H10.H4O4Si.H2S/c1-2-6-9-7-4-3-5-8-9;1-5(2,3)4;/h2-5,7-8H,1,6H2;1-4H;1H2
InChIKeyUTHFTFDAAYNFDE-UHFFFAOYSA-N
MW248.38 g/mol
LogP-0.08
Rot. Bonds2

About prop-2-enylbenzene;silicic acid;sulfane

prop-2-enylbenzene;silicic acid;sulfane (PubChem CID 174871791) has the molecular formula C9H16O4SSi and a molecular weight of 248.38 g/mol. Its IUPAC name is prop-2-enylbenzene;silicic acid;sulfane.

Molecular Properties

Compound Nameprop-2-enylbenzene;silicic acid;sulfane
PubChem CID174871791
Molecular FormulaC9H16O4SSi
Molecular Weight248.38 g/mol
Exact Mass248.05
IUPAC Nameprop-2-enylbenzene;silicic acid;sulfane
SMILESC=CCc1ccccc1.O[Si](O)(O)O.S
InChIInChI=1S/C9H10.H4O4Si.H2S/c1-2-6-9-7-4-3-5-8-9;1-5(2,3)4;/h2-5,7-8H,1,6H2;1-4H;1H2
InChIKeyUTHFTFDAAYNFDE-UHFFFAOYSA-N
XLogP-0.08
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enylbenzene
CID 159998516
phosphane;prop-2-enylbenzene
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CID 173215164
CID 173215164
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CID 142174904
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CID 173443660
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CID 175109242
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pentane;prop-2-enylbenzene
CID 90884247
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Frequently Asked Questions

What is the IUPAC name of prop-2-enylbenzene;silicic acid;sulfane?
The IUPAC name of prop-2-enylbenzene;silicic acid;sulfane (CID 174871791) is prop-2-enylbenzene;silicic acid;sulfane.
What is the SMILES notation for prop-2-enylbenzene;silicic acid;sulfane?
The canonical SMILES for prop-2-enylbenzene;silicic acid;sulfane is C=CCc1ccccc1.O[Si](O)(O)O.S.
What is the InChIKey of prop-2-enylbenzene;silicic acid;sulfane?
The InChIKey is UTHFTFDAAYNFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.H4O4Si.H2S/c1-2-6-9-7-4-3-5-8-9;1-5(2,3)4;/h2-5,7-8H,1,6H2;1-4H;1H2.
What are the key properties of prop-2-enylbenzene;silicic acid;sulfane?
prop-2-enylbenzene;silicic acid;sulfane has a molecular weight of 248.38 g/mol, XLogP of -0.08, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylbenzene;silicic acid;sulfane is sourced from PubChem (CID 174871791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).