CID 11045677

C12H15ClO2Ru+ — CID 11045677

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.Cl[Ru+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C10H15.2CO.ClH.Ru/c1-6-7(2)9(4)10(5)8(6)3;2*1-2;;/h1-5H3;;;1H;/q;;;;+2/p-1
InChIKeyQZOHLAHXUOWVIK-UHFFFAOYSA-M
MW327.77 g/mol
LogP3.58
Rot. Bonds

About CID 11045677

CID 11045677 (PubChem CID 11045677) has the molecular formula C12H15ClO2Ru+ and a molecular weight of 327.77 g/mol.

Molecular Properties

Compound NameCID 11045677
PubChem CID11045677
Molecular FormulaC12H15ClO2Ru+
Molecular Weight327.77 g/mol
Exact Mass327.98
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.Cl[Ru+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C10H15.2CO.ClH.Ru/c1-6-7(2)9(4)10(5)8(6)3;2*1-2;;/h1-5H3;;;1H;/q;;;;+2/p-1
InChIKeyQZOHLAHXUOWVIK-UHFFFAOYSA-M
XLogP3.58
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11045677?
The IUPAC name of CID 11045677 (CID 11045677) is not available.
What is the SMILES notation for CID 11045677?
The canonical SMILES for CID 11045677 is C[C]1[C](C)[C](C)[C](C)[C]1C.Cl[Ru+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of CID 11045677?
The InChIKey is QZOHLAHXUOWVIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H15.2CO.ClH.Ru/c1-6-7(2)9(4)10(5)8(6)3;2*1-2;;/h1-5H3;;;1H;/q;;;;+2/p-1.
What are the key properties of CID 11045677?
CID 11045677 has a molecular weight of 327.77 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11045677 is sourced from PubChem (CID 11045677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).