dichlorotungsten;nonane;phenol

C15H25Cl2OW- — CID 150757460

IUPACdichlorotungsten;nonane;phenol
SMILESCl[W]Cl.Oc1ccccc1.[CH2-]CCCCCCCC
InChIInChI=1S/C9H19.C6H6O.2ClH.W/c1-3-5-7-9-8-6-4-2;7-6-4-2-1-3-5-6;;;/h1,3-9H2,2H3;1-5,7H;2*1H;/q-1;;;;+2/p-2
InChIKeyIXSQOQXSSUJXGB-UHFFFAOYSA-L
MW476.11 g/mol
LogP6.34
Rot. Bonds6

About dichlorotungsten;nonane;phenol

dichlorotungsten;nonane;phenol (PubChem CID 150757460) has the molecular formula C15H25Cl2OW- and a molecular weight of 476.11 g/mol. Its IUPAC name is dichlorotungsten;nonane;phenol.

Molecular Properties

Compound Namedichlorotungsten;nonane;phenol
PubChem CID150757460
Molecular FormulaC15H25Cl2OW-
Molecular Weight476.11 g/mol
Exact Mass475.08
IUPAC Namedichlorotungsten;nonane;phenol
SMILESCl[W]Cl.Oc1ccccc1.[CH2-]CCCCCCCC
InChIInChI=1S/C9H19.C6H6O.2ClH.W/c1-3-5-7-9-8-6-4-2;7-6-4-2-1-3-5-6;;;/h1,3-9H2,2H3;1-5,7H;2*1H;/q-1;;;;+2/p-2
InChIKeyIXSQOQXSSUJXGB-UHFFFAOYSA-L
XLogP6.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.11
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 22238727
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Frequently Asked Questions

What is the IUPAC name of dichlorotungsten;nonane;phenol?
The IUPAC name of dichlorotungsten;nonane;phenol (CID 150757460) is dichlorotungsten;nonane;phenol.
What is the SMILES notation for dichlorotungsten;nonane;phenol?
The canonical SMILES for dichlorotungsten;nonane;phenol is Cl[W]Cl.Oc1ccccc1.[CH2-]CCCCCCCC.
What is the InChIKey of dichlorotungsten;nonane;phenol?
The InChIKey is IXSQOQXSSUJXGB-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H19.C6H6O.2ClH.W/c1-3-5-7-9-8-6-4-2;7-6-4-2-1-3-5-6;;;/h1,3-9H2,2H3;1-5,7H;2*1H;/q-1;;;;+2/p-2.
What are the key properties of dichlorotungsten;nonane;phenol?
dichlorotungsten;nonane;phenol has a molecular weight of 476.11 g/mol, XLogP of 6.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotungsten;nonane;phenol is sourced from PubChem (CID 150757460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).