ethane;2-phenylethanesulfinic acid;propane;yttrium

C15H30O2SY — CID 157102993

IUPACethane;2-phenylethanesulfinic acid;propane;yttrium
SMILESCC.CC.CCC.O=S(O)CCc1ccccc1.[Y]
InChIInChI=1S/C8H10O2S.C3H8.2C2H6.Y/c9-11(10)7-6-8-4-2-1-3-5-8;1-3-2;2*1-2;/h1-5H,6-7H2,(H,9,10);3H2,1-2H3;2*1-2H3;
InChIKeyCHYSCQMKHVWSGO-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.92
Rot. Bonds3

About ethane;2-phenylethanesulfinic acid;propane;yttrium

ethane;2-phenylethanesulfinic acid;propane;yttrium (PubChem CID 157102993) has the molecular formula C15H30O2SY and a molecular weight of 363.38 g/mol. Its IUPAC name is ethane;2-phenylethanesulfinic acid;propane;yttrium.

Molecular Properties

Compound Nameethane;2-phenylethanesulfinic acid;propane;yttrium
PubChem CID157102993
Molecular FormulaC15H30O2SY
Molecular Weight363.38 g/mol
Exact Mass363.10
IUPAC Nameethane;2-phenylethanesulfinic acid;propane;yttrium
SMILESCC.CC.CCC.O=S(O)CCc1ccccc1.[Y]
InChIInChI=1S/C8H10O2S.C3H8.2C2H6.Y/c9-11(10)7-6-8-4-2-1-3-5-8;1-3-2;2*1-2;/h1-5H,6-7H2,(H,9,10);3H2,1-2H3;2*1-2H3;
InChIKeyCHYSCQMKHVWSGO-UHFFFAOYSA-N
XLogP4.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;2-phenylethanesulfinic acid;propane;yttrium?
The IUPAC name of ethane;2-phenylethanesulfinic acid;propane;yttrium (CID 157102993) is ethane;2-phenylethanesulfinic acid;propane;yttrium.
What is the SMILES notation for ethane;2-phenylethanesulfinic acid;propane;yttrium?
The canonical SMILES for ethane;2-phenylethanesulfinic acid;propane;yttrium is CC.CC.CCC.O=S(O)CCc1ccccc1.[Y].
What is the InChIKey of ethane;2-phenylethanesulfinic acid;propane;yttrium?
The InChIKey is CHYSCQMKHVWSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S.C3H8.2C2H6.Y/c9-11(10)7-6-8-4-2-1-3-5-8;1-3-2;2*1-2;/h1-5H,6-7H2,(H,9,10);3H2,1-2H3;2*1-2H3;.
What are the key properties of ethane;2-phenylethanesulfinic acid;propane;yttrium?
ethane;2-phenylethanesulfinic acid;propane;yttrium has a molecular weight of 363.38 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-phenylethanesulfinic acid;propane;yttrium is sourced from PubChem (CID 157102993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).