pentane;tetrachloromolybdenum

C5H11Cl4Mo- — CID 174360833

IUPACpentane;tetrachloromolybdenum
SMILESC[CH-]CCC.Cl[Mo](Cl)(Cl)Cl
InChIInChI=1S/C5H11.4ClH.Mo/c1-3-5-4-2;;;;;/h3H,4-5H2,1-2H3;4*1H;/q-1;;;;;+4/p-4
InChIKeyXQLBFSIRLFKXFF-UHFFFAOYSA-J
MW308.90 g/mol
LogP4.77
Rot. Bonds2

About pentane;tetrachloromolybdenum

pentane;tetrachloromolybdenum (PubChem CID 174360833) has the molecular formula C5H11Cl4Mo- and a molecular weight of 308.90 g/mol. Its IUPAC name is pentane;tetrachloromolybdenum.

Molecular Properties

Compound Namepentane;tetrachloromolybdenum
PubChem CID174360833
Molecular FormulaC5H11Cl4Mo-
Molecular Weight308.90 g/mol
Exact Mass308.87
IUPAC Namepentane;tetrachloromolybdenum
SMILESC[CH-]CCC.Cl[Mo](Cl)(Cl)Cl
InChIInChI=1S/C5H11.4ClH.Mo/c1-3-5-4-2;;;;;/h3H,4-5H2,1-2H3;4*1H;/q-1;;;;;+4/p-4
InChIKeyXQLBFSIRLFKXFF-UHFFFAOYSA-J
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentane;tetrachloromolybdenum?
The IUPAC name of pentane;tetrachloromolybdenum (CID 174360833) is pentane;tetrachloromolybdenum.
What is the SMILES notation for pentane;tetrachloromolybdenum?
The canonical SMILES for pentane;tetrachloromolybdenum is C[CH-]CCC.Cl[Mo](Cl)(Cl)Cl.
What is the InChIKey of pentane;tetrachloromolybdenum?
The InChIKey is XQLBFSIRLFKXFF-UHFFFAOYSA-J. The full InChI is InChI=1S/C5H11.4ClH.Mo/c1-3-5-4-2;;;;;/h3H,4-5H2,1-2H3;4*1H;/q-1;;;;;+4/p-4.
What are the key properties of pentane;tetrachloromolybdenum?
pentane;tetrachloromolybdenum has a molecular weight of 308.90 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentane;tetrachloromolybdenum is sourced from PubChem (CID 174360833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).