CID 11092182

C19H29ClO2PRhS+ — CID 11092182

IUPAC—
SMILESCP(C)C.C[C]1[C](C)[C](C)[C](C)[C]1C.Cl[Rh+2].O=S([O-])c1ccccc1
InChIInChI=1S/C10H15.C6H6O2S.C3H9P.ClH.Rh/c1-6-7(2)9(4)10(5)8(6)3;7-9(8)6-4-2-1-3-5-6;1-4(2)3;;/h1-5H3;1-5H,(H,7,8);1-3H3;1H;/q;;;;+3/p-2
InChIKeyBFJAPJWSCGDRJL-UHFFFAOYSA-L
MW490.84 g/mol
LogP5.94
Rot. Bonds1

About CID 11092182

CID 11092182 (PubChem CID 11092182) has the molecular formula C19H29ClO2PRhS+ and a molecular weight of 490.84 g/mol.

Molecular Properties

Compound NameCID 11092182
PubChem CID11092182
Molecular FormulaC19H29ClO2PRhS+
Molecular Weight490.84 g/mol
Exact Mass490.04
IUPAC Name—
SMILESCP(C)C.C[C]1[C](C)[C](C)[C](C)[C]1C.Cl[Rh+2].O=S([O-])c1ccccc1
InChIInChI=1S/C10H15.C6H6O2S.C3H9P.ClH.Rh/c1-6-7(2)9(4)10(5)8(6)3;7-9(8)6-4-2-1-3-5-6;1-4(2)3;;/h1-5H3;1-5H,(H,7,8);1-3H3;1H;/q;;;;+3/p-2
InChIKeyBFJAPJWSCGDRJL-UHFFFAOYSA-L
XLogP5.94
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.84
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11092182?
The IUPAC name of CID 11092182 (CID 11092182) is not available.
What is the SMILES notation for CID 11092182?
The canonical SMILES for CID 11092182 is CP(C)C.C[C]1[C](C)[C](C)[C](C)[C]1C.Cl[Rh+2].O=S([O-])c1ccccc1.
What is the InChIKey of CID 11092182?
The InChIKey is BFJAPJWSCGDRJL-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H15.C6H6O2S.C3H9P.ClH.Rh/c1-6-7(2)9(4)10(5)8(6)3;7-9(8)6-4-2-1-3-5-6;1-4(2)3;;/h1-5H3;1-5H,(H,7,8);1-3H3;1H;/q;;;;+3/p-2.
What are the key properties of CID 11092182?
CID 11092182 has a molecular weight of 490.84 g/mol, XLogP of 5.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11092182 is sourced from PubChem (CID 11092182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).