carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+)

C8H14Cl2Ti — CID 19077938

IUPACcarbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+)
SMILESCCl.CCl.[C-]1=CC=CC1.[CH3-].[Ti+2]
InChIInChI=1S/C5H5.2CH3Cl.CH3.Ti/c1-2-4-5-3-1;2*1-2;;/h1-3H,4H2;2*1H3;1H3;/q-1;;;-1;+2
InChIKeyNLZPZFBHOPTKSN-UHFFFAOYSA-N
MW228.97 g/mol
LogP3.46
Rot. Bonds

About carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+)

carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+) (PubChem CID 19077938) has the molecular formula C8H14Cl2Ti and a molecular weight of 228.97 g/mol. Its IUPAC name is carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+).

Molecular Properties

Compound Namecarbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+)
PubChem CID19077938
Molecular FormulaC8H14Cl2Ti
Molecular Weight228.97 g/mol
Exact Mass228.00
IUPAC Namecarbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+)
SMILESCCl.CCl.[C-]1=CC=CC1.[CH3-].[Ti+2]
InChIInChI=1S/C5H5.2CH3Cl.CH3.Ti/c1-2-4-5-3-1;2*1-2;;/h1-3H,4H2;2*1H3;1H3;/q-1;;;-1;+2
InChIKeyNLZPZFBHOPTKSN-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.97
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+)?
The IUPAC name of carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+) (CID 19077938) is carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+).
What is the SMILES notation for carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+)?
The canonical SMILES for carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+) is CCl.CCl.[C-]1=CC=CC1.[CH3-].[Ti+2].
What is the InChIKey of carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+)?
The InChIKey is NLZPZFBHOPTKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.2CH3Cl.CH3.Ti/c1-2-4-5-3-1;2*1-2;;/h1-3H,4H2;2*1H3;1H3;/q-1;;;-1;+2.
What are the key properties of carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+)?
carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+) has a molecular weight of 228.97 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+) is sourced from PubChem (CID 19077938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).