cyclopenta-1,3-diene;dimethyl(propyl)phosphane;trichlorotitanium

C10H17Cl3PTi-2 — CID 154420870

IUPACcyclopenta-1,3-diene;dimethyl(propyl)phosphane;trichlorotitanium
SMILESC[CH-]CP(C)C.Cl[Ti](Cl)Cl.c1cc[cH-]c1
InChIInChI=1S/C5H12P.C5H5.3ClH.Ti/c1-4-5-6(2)3;1-2-4-5-3-1;;;;/h4H,5H2,1-3H3;1-5H;3*1H;/q2*-1;;;;+3/p-3
InChIKeyINBDDJBBYXDTJM-UHFFFAOYSA-K
MW322.45 g/mol
LogP5.42
Rot. Bonds2

About cyclopenta-1,3-diene;dimethyl(propyl)phosphane;trichlorotitanium

cyclopenta-1,3-diene;dimethyl(propyl)phosphane;trichlorotitanium (PubChem CID 154420870) has the molecular formula C10H17Cl3PTi-2 and a molecular weight of 322.45 g/mol. Its IUPAC name is cyclopenta-1,3-diene;dimethyl(propyl)phosphane;trichlorotitanium.

Molecular Properties

Compound Namecyclopenta-1,3-diene;dimethyl(propyl)phosphane;trichlorotitanium
PubChem CID154420870
Molecular FormulaC10H17Cl3PTi-2
Molecular Weight322.45 g/mol
Exact Mass320.96
IUPAC Namecyclopenta-1,3-diene;dimethyl(propyl)phosphane;trichlorotitanium
SMILESC[CH-]CP(C)C.Cl[Ti](Cl)Cl.c1cc[cH-]c1
InChIInChI=1S/C5H12P.C5H5.3ClH.Ti/c1-4-5-6(2)3;1-2-4-5-3-1;;;;/h4H,5H2,1-3H3;1-5H;3*1H;/q2*-1;;;;+3/p-3
InChIKeyINBDDJBBYXDTJM-UHFFFAOYSA-K
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.42
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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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;dimethyl(propyl)phosphane;trichlorotitanium?
The IUPAC name of cyclopenta-1,3-diene;dimethyl(propyl)phosphane;trichlorotitanium (CID 154420870) is cyclopenta-1,3-diene;dimethyl(propyl)phosphane;trichlorotitanium.
What is the SMILES notation for cyclopenta-1,3-diene;dimethyl(propyl)phosphane;trichlorotitanium?
The canonical SMILES for cyclopenta-1,3-diene;dimethyl(propyl)phosphane;trichlorotitanium is C[CH-]CP(C)C.Cl[Ti](Cl)Cl.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;dimethyl(propyl)phosphane;trichlorotitanium?
The InChIKey is INBDDJBBYXDTJM-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H12P.C5H5.3ClH.Ti/c1-4-5-6(2)3;1-2-4-5-3-1;;;;/h4H,5H2,1-3H3;1-5H;3*1H;/q2*-1;;;;+3/p-3.
What are the key properties of cyclopenta-1,3-diene;dimethyl(propyl)phosphane;trichlorotitanium?
cyclopenta-1,3-diene;dimethyl(propyl)phosphane;trichlorotitanium has a molecular weight of 322.45 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;dimethyl(propyl)phosphane;trichlorotitanium is sourced from PubChem (CID 154420870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).