bicyclo[2.2.1]hepta-2,5-diene;methylidyneoxidanium;molybdenum

C11H12MoO4+4 — CID 170920471

IUPACbicyclo[2.2.1]hepta-2,5-diene;methylidyneoxidanium;molybdenum
SMILESC#[O+].C#[O+].C#[O+].C#[O+].C1=CC2C=CC1C2.[Mo]
InChIInChI=1S/C7H8.4CHO.Mo/c1-2-7-4-3-6(1)5-7;4*1-2;/h1-4,6-7H,5H2;4*1H;/q;4*+1;
InChIKeyMOPASTFEKLPOOX-UHFFFAOYSA-N
MW304.15 g/mol
LogP1.77
Rot. Bonds

About bicyclo[2.2.1]hepta-2,5-diene;methylidyneoxidanium;molybdenum

bicyclo[2.2.1]hepta-2,5-diene;methylidyneoxidanium;molybdenum (PubChem CID 170920471) has the molecular formula C11H12MoO4+4 and a molecular weight of 304.15 g/mol. Its IUPAC name is bicyclo[2.2.1]hepta-2,5-diene;methylidyneoxidanium;molybdenum.

Molecular Properties

Compound Namebicyclo[2.2.1]hepta-2,5-diene;methylidyneoxidanium;molybdenum
PubChem CID170920471
Molecular FormulaC11H12MoO4+4
Molecular Weight304.15 g/mol
Exact Mass305.98
IUPAC Namebicyclo[2.2.1]hepta-2,5-diene;methylidyneoxidanium;molybdenum
SMILESC#[O+].C#[O+].C#[O+].C#[O+].C1=CC2C=CC1C2.[Mo]
InChIInChI=1S/C7H8.4CHO.Mo/c1-2-7-4-3-6(1)5-7;4*1-2;/h1-4,6-7H,5H2;4*1H;/q;4*+1;
InChIKeyMOPASTFEKLPOOX-UHFFFAOYSA-N
XLogP1.77
TPSA79.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bicyclo[2.2.1]hepta-2,5-diene;bicyclo[2.2.2]octa-2,5-diene
CID 167623145
bis(bicyclo[2.2.1]hepta-2,5-diene);tetrachlororuthenium
CID 19690374
bis(bicyclo[2.2.1]hepta-2,5-diene);rhodium;perchlorate
CID 10927170
bicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene
CID 157423842
bicyclo[2.2.1]hepta-2,5-diene;(3Z)-3-ethylidene-5-methylcyclopentene;methane
CID 165090077
bicyclo[2.2.1]hepta-2,5-diene;propan-2-yl formate
CID 88655487
CID 136734750
CID 136734750
bicyclo[2.2.1]hepta-2,5-diene;3-ethenyl-5-methylcyclopentene
CID 159756335
bicyclo[2.2.1]hepta-2,5-diene;propylbenzene
CID 175311370
bicyclo[2.2.1]hepta-2,5-diene;rhodium;bis(triphenylarsane);perchlorate
CID 134900444
CID 10876135
CID 10876135
bicyclo[2.2.1]hepta-2,5-diene;ruthenium;1,2,3,6-tetrachlorobicyclo[2.2.1]hepta-2,5-diene
CID 173308675

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hepta-2,5-diene;methylidyneoxidanium;molybdenum?
The IUPAC name of bicyclo[2.2.1]hepta-2,5-diene;methylidyneoxidanium;molybdenum (CID 170920471) is bicyclo[2.2.1]hepta-2,5-diene;methylidyneoxidanium;molybdenum.
What is the SMILES notation for bicyclo[2.2.1]hepta-2,5-diene;methylidyneoxidanium;molybdenum?
The canonical SMILES for bicyclo[2.2.1]hepta-2,5-diene;methylidyneoxidanium;molybdenum is C#[O+].C#[O+].C#[O+].C#[O+].C1=CC2C=CC1C2.[Mo].
What is the InChIKey of bicyclo[2.2.1]hepta-2,5-diene;methylidyneoxidanium;molybdenum?
The InChIKey is MOPASTFEKLPOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.4CHO.Mo/c1-2-7-4-3-6(1)5-7;4*1-2;/h1-4,6-7H,5H2;4*1H;/q;4*+1;.
What are the key properties of bicyclo[2.2.1]hepta-2,5-diene;methylidyneoxidanium;molybdenum?
bicyclo[2.2.1]hepta-2,5-diene;methylidyneoxidanium;molybdenum has a molecular weight of 304.15 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hepta-2,5-diene;methylidyneoxidanium;molybdenum is sourced from PubChem (CID 170920471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).