benzylphosphane;cyclopenta-1,3-diene;methylidenetitanium(2+);dichloride

C13H16Cl2PTi- — CID 88593754

IUPACbenzylphosphane;cyclopenta-1,3-diene;methylidenetitanium(2+);dichloride
SMILESC=[Ti+2].PCc1ccccc1.[C-]1=CC=CC1.[Cl-].[Cl-]
InChIInChI=1S/C7H9P.C5H5.CH2.2ClH.Ti/c8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;;;;/h1-5H,6,8H2;1-3H,4H2;1H2;2*1H;/q;-1;;;;+2/p-2
InChIKeyDDNXSDPGKQNVFE-UHFFFAOYSA-L
MW322.02 g/mol
LogP-2.66
Rot. Bonds1

About benzylphosphane;cyclopenta-1,3-diene;methylidenetitanium(2+);dichloride

benzylphosphane;cyclopenta-1,3-diene;methylidenetitanium(2+);dichloride (PubChem CID 88593754) has the molecular formula C13H16Cl2PTi- and a molecular weight of 322.02 g/mol. Its IUPAC name is benzylphosphane;cyclopenta-1,3-diene;methylidenetitanium(2+);dichloride.

Molecular Properties

Compound Namebenzylphosphane;cyclopenta-1,3-diene;methylidenetitanium(2+);dichloride
PubChem CID88593754
Molecular FormulaC13H16Cl2PTi-
Molecular Weight322.02 g/mol
Exact Mass320.99
IUPAC Namebenzylphosphane;cyclopenta-1,3-diene;methylidenetitanium(2+);dichloride
SMILESC=[Ti+2].PCc1ccccc1.[C-]1=CC=CC1.[Cl-].[Cl-]
InChIInChI=1S/C7H9P.C5H5.CH2.2ClH.Ti/c8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;;;;/h1-5H,6,8H2;1-3H,4H2;1H2;2*1H;/q;-1;;;;+2/p-2
InChIKeyDDNXSDPGKQNVFE-UHFFFAOYSA-L
XLogP-2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.02
LogP ≤ 5-2.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzylphosphane;cyclopenta-1,3-diene;methylidenetitanium(2+);dichloride?
The IUPAC name of benzylphosphane;cyclopenta-1,3-diene;methylidenetitanium(2+);dichloride (CID 88593754) is benzylphosphane;cyclopenta-1,3-diene;methylidenetitanium(2+);dichloride.
What is the SMILES notation for benzylphosphane;cyclopenta-1,3-diene;methylidenetitanium(2+);dichloride?
The canonical SMILES for benzylphosphane;cyclopenta-1,3-diene;methylidenetitanium(2+);dichloride is C=[Ti+2].PCc1ccccc1.[C-]1=CC=CC1.[Cl-].[Cl-].
What is the InChIKey of benzylphosphane;cyclopenta-1,3-diene;methylidenetitanium(2+);dichloride?
The InChIKey is DDNXSDPGKQNVFE-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H9P.C5H5.CH2.2ClH.Ti/c8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;;;;/h1-5H,6,8H2;1-3H,4H2;1H2;2*1H;/q;-1;;;;+2/p-2.
What are the key properties of benzylphosphane;cyclopenta-1,3-diene;methylidenetitanium(2+);dichloride?
benzylphosphane;cyclopenta-1,3-diene;methylidenetitanium(2+);dichloride has a molecular weight of 322.02 g/mol, XLogP of -2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylphosphane;cyclopenta-1,3-diene;methylidenetitanium(2+);dichloride is sourced from PubChem (CID 88593754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).