dichloromolybdenum;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)

C20H30Cl2Mo-2 — CID 155669320

IUPACdichloromolybdenum;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
SMILESCc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.Cl[Mo]Cl
InChIInChI=1S/2C10H15.2ClH.Mo/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyQLQMSOMUHIIOMP-UHFFFAOYSA-L
MW437.31 g/mol
LogP7.27
Rot. Bonds

About dichloromolybdenum;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)

dichloromolybdenum;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene) (PubChem CID 155669320) has the molecular formula C20H30Cl2Mo-2 and a molecular weight of 437.31 g/mol. Its IUPAC name is dichloromolybdenum;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene).

Molecular Properties

Compound Namedichloromolybdenum;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
PubChem CID155669320
Molecular FormulaC20H30Cl2Mo-2
Molecular Weight437.31 g/mol
Exact Mass438.08
IUPAC Namedichloromolybdenum;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
SMILESCc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.Cl[Mo]Cl
InChIInChI=1S/2C10H15.2ClH.Mo/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyQLQMSOMUHIIOMP-UHFFFAOYSA-L
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.31
LogP ≤ 57.27
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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Related Compounds

nickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
CID 5148230
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+)
CID 154465312
iron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 141410099
nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 141169485
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorozirconium
CID 12827918
hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride
CID 87375739
bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide
CID 172696941
carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;tantalum(5+)
CID 15777144
carbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 139722502
dichlororhodium(1+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhodium(3+)
CID 157049702
methanol;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium
CID 5148204
cobalt;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopentane
CID 11987162

Frequently Asked Questions

What is the IUPAC name of dichloromolybdenum;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)?
The IUPAC name of dichloromolybdenum;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene) (CID 155669320) is dichloromolybdenum;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene).
What is the SMILES notation for dichloromolybdenum;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)?
The canonical SMILES for dichloromolybdenum;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene) is Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.Cl[Mo]Cl.
What is the InChIKey of dichloromolybdenum;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)?
The InChIKey is QLQMSOMUHIIOMP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H15.2ClH.Mo/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of dichloromolybdenum;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)?
dichloromolybdenum;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene) has a molecular weight of 437.31 g/mol, XLogP of 7.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromolybdenum;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene) is sourced from PubChem (CID 155669320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).