CID 11380617

C12H14MoO2+2 — CID 11380617

IUPAC—
SMILESC[CH][CH][CH]C.[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Mo+2]
InChIInChI=1S/C5H5.C5H9.2CO.Mo/c1-2-4-5-3-1;1-3-5-4-2;2*1-2;/h1-5H;3-5H,1-2H3;;;/q;;;;+2
InChIKeyCCCWLCYDVRJOIK-UHFFFAOYSA-N
MW286.18 g/mol
LogP2.58
Rot. Bonds2

About CID 11380617

CID 11380617 (PubChem CID 11380617) has the molecular formula C12H14MoO2+2 and a molecular weight of 286.18 g/mol.

Molecular Properties

Compound NameCID 11380617
PubChem CID11380617
Molecular FormulaC12H14MoO2+2
Molecular Weight286.18 g/mol
Exact Mass288.00
IUPAC Name—
SMILESC[CH][CH][CH]C.[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Mo+2]
InChIInChI=1S/C5H5.C5H9.2CO.Mo/c1-2-4-5-3-1;1-3-5-4-2;2*1-2;/h1-5H;3-5H,1-2H3;;;/q;;;;+2
InChIKeyCCCWLCYDVRJOIK-UHFFFAOYSA-N
XLogP2.58
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 52.58
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 11380617?
The IUPAC name of CID 11380617 (CID 11380617) is not available.
What is the SMILES notation for CID 11380617?
The canonical SMILES for CID 11380617 is C[CH][CH][CH]C.[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Mo+2].
What is the InChIKey of CID 11380617?
The InChIKey is CCCWLCYDVRJOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C5H9.2CO.Mo/c1-2-4-5-3-1;1-3-5-4-2;2*1-2;/h1-5H;3-5H,1-2H3;;;/q;;;;+2.
What are the key properties of CID 11380617?
CID 11380617 has a molecular weight of 286.18 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11380617 is sourced from PubChem (CID 11380617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).