carbon monoxide;molybdenum;7-prop-2-ynylcyclohepta-1,3,5-triene

C13H10MoO3 — CID 134898755

IUPACcarbon monoxide;molybdenum;7-prop-2-ynylcyclohepta-1,3,5-triene
SMILESC#CCC1C=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo]
InChIInChI=1S/C10H10.3CO.Mo/c1-2-7-10-8-5-3-4-6-9-10;3*1-2;/h1,3-6,8-10H,7H2;;;;
InChIKeyMROVDYAJSXVYFJ-UHFFFAOYSA-N
MW310.16 g/mol
LogP2.19
Rot. Bonds1

About carbon monoxide;molybdenum;7-prop-2-ynylcyclohepta-1,3,5-triene

carbon monoxide;molybdenum;7-prop-2-ynylcyclohepta-1,3,5-triene (PubChem CID 134898755) has the molecular formula C13H10MoO3 and a molecular weight of 310.16 g/mol. Its IUPAC name is carbon monoxide;molybdenum;7-prop-2-ynylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Namecarbon monoxide;molybdenum;7-prop-2-ynylcyclohepta-1,3,5-triene
PubChem CID134898755
Molecular FormulaC13H10MoO3
Molecular Weight310.16 g/mol
Exact Mass311.97
IUPAC Namecarbon monoxide;molybdenum;7-prop-2-ynylcyclohepta-1,3,5-triene
SMILESC#CCC1C=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo]
InChIInChI=1S/C10H10.3CO.Mo/c1-2-7-10-8-5-3-4-6-9-10;3*1-2;/h1,3-6,8-10H,7H2;;;;
InChIKeyMROVDYAJSXVYFJ-UHFFFAOYSA-N
XLogP2.19
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 52.19
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;molybdenum;7-prop-2-ynylcyclohepta-1,3,5-triene?
The IUPAC name of carbon monoxide;molybdenum;7-prop-2-ynylcyclohepta-1,3,5-triene (CID 134898755) is carbon monoxide;molybdenum;7-prop-2-ynylcyclohepta-1,3,5-triene.
What is the SMILES notation for carbon monoxide;molybdenum;7-prop-2-ynylcyclohepta-1,3,5-triene?
The canonical SMILES for carbon monoxide;molybdenum;7-prop-2-ynylcyclohepta-1,3,5-triene is C#CCC1C=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].
What is the InChIKey of carbon monoxide;molybdenum;7-prop-2-ynylcyclohepta-1,3,5-triene?
The InChIKey is MROVDYAJSXVYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.3CO.Mo/c1-2-7-10-8-5-3-4-6-9-10;3*1-2;/h1,3-6,8-10H,7H2;;;;.
What are the key properties of carbon monoxide;molybdenum;7-prop-2-ynylcyclohepta-1,3,5-triene?
carbon monoxide;molybdenum;7-prop-2-ynylcyclohepta-1,3,5-triene has a molecular weight of 310.16 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;molybdenum;7-prop-2-ynylcyclohepta-1,3,5-triene is sourced from PubChem (CID 134898755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).