bis(cyclopenta-1,3-diene);dichlorotungsten

C10H10Cl2W-2 — CID 76518723

IUPACbis(cyclopenta-1,3-diene);dichlorotungsten
SMILESCl[W]Cl.[C-]1=CC=CC1.[C-]1=CC=CC1
InChIInChI=1S/2C5H5.2ClH.W/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H;/q2*-1;;;+2/p-2
InChIKeyDSECQQNIMXMFHP-UHFFFAOYSA-L
MW384.94 g/mol
LogP3.99
Rot. Bonds

About bis(cyclopenta-1,3-diene);dichlorotungsten

bis(cyclopenta-1,3-diene);dichlorotungsten (PubChem CID 76518723) has the molecular formula C10H10Cl2W-2 and a molecular weight of 384.94 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);dichlorotungsten.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);dichlorotungsten
PubChem CID76518723
Molecular FormulaC10H10Cl2W-2
Molecular Weight384.94 g/mol
Exact Mass383.97
IUPAC Namebis(cyclopenta-1,3-diene);dichlorotungsten
SMILESCl[W]Cl.[C-]1=CC=CC1.[C-]1=CC=CC1
InChIInChI=1S/2C5H5.2ClH.W/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H;/q2*-1;;;+2/p-2
InChIKeyDSECQQNIMXMFHP-UHFFFAOYSA-L
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.94
LogP ≤ 53.99
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 bis(cyclopenta-1,3-diene);dichlorotungsten?
The IUPAC name of bis(cyclopenta-1,3-diene);dichlorotungsten (CID 76518723) is bis(cyclopenta-1,3-diene);dichlorotungsten.
What is the SMILES notation for bis(cyclopenta-1,3-diene);dichlorotungsten?
The canonical SMILES for bis(cyclopenta-1,3-diene);dichlorotungsten is Cl[W]Cl.[C-]1=CC=CC1.[C-]1=CC=CC1.
What is the InChIKey of bis(cyclopenta-1,3-diene);dichlorotungsten?
The InChIKey is DSECQQNIMXMFHP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H5.2ClH.W/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of bis(cyclopenta-1,3-diene);dichlorotungsten?
bis(cyclopenta-1,3-diene);dichlorotungsten has a molecular weight of 384.94 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);dichlorotungsten is sourced from PubChem (CID 76518723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).