benzene;cyclopenta-1,3-diene;titanium(3+)

C17H15Ti — CID 173200897

IUPACbenzene;cyclopenta-1,3-diene;titanium(3+)
SMILES[C-]1=CC=CC1.[Ti+3].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/2C6H5.C5H5.Ti/c2*1-2-4-6-5-3-1;1-2-4-5-3-1;/h2*1-5H;1-3H,4H2;/q3*-1;+3
InChIKeyLLVZSVOQAKMHQU-UHFFFAOYSA-N
MW267.17 g/mol
LogP4.28
Rot. Bonds

About benzene;cyclopenta-1,3-diene;titanium(3+)

benzene;cyclopenta-1,3-diene;titanium(3+) (PubChem CID 173200897) has the molecular formula C17H15Ti and a molecular weight of 267.17 g/mol. Its IUPAC name is benzene;cyclopenta-1,3-diene;titanium(3+).

Molecular Properties

Compound Namebenzene;cyclopenta-1,3-diene;titanium(3+)
PubChem CID173200897
Molecular FormulaC17H15Ti
Molecular Weight267.17 g/mol
Exact Mass267.07
IUPAC Namebenzene;cyclopenta-1,3-diene;titanium(3+)
SMILES[C-]1=CC=CC1.[Ti+3].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/2C6H5.C5H5.Ti/c2*1-2-4-6-5-3-1;1-2-4-5-3-1;/h2*1-5H;1-3H,4H2;/q3*-1;+3
InChIKeyLLVZSVOQAKMHQU-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 54.28
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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Related Compounds

benzene;cyclopenta-1,3-diene;zirconium(2+)
CID 174248756
benzene;cyclopenta-1,3-diene;hydroxysilane;zirconium(4+)
CID 174258600
benzene;cyclopenta-1,3-diene;manganese
CID 67644722
benzene;cyclopenta-1,3-diene;titanium;dihydrochloride
CID 174656990
benzene;cyclopenta-1,3-diene;pentane;vanadium
CID 173225730
carbanide;cyclopenta-1,3-diene;hydride;titanium(3+)
CID 173197965
strontium bis(cyclopenta-1,3-diene)
CID 14513562
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
cesium cyclopenta-1,3-diene
CID 18362255
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747

Frequently Asked Questions

What is the IUPAC name of benzene;cyclopenta-1,3-diene;titanium(3+)?
The IUPAC name of benzene;cyclopenta-1,3-diene;titanium(3+) (CID 173200897) is benzene;cyclopenta-1,3-diene;titanium(3+).
What is the SMILES notation for benzene;cyclopenta-1,3-diene;titanium(3+)?
The canonical SMILES for benzene;cyclopenta-1,3-diene;titanium(3+) is [C-]1=CC=CC1.[Ti+3].[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;cyclopenta-1,3-diene;titanium(3+)?
The InChIKey is LLVZSVOQAKMHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.C5H5.Ti/c2*1-2-4-6-5-3-1;1-2-4-5-3-1;/h2*1-5H;1-3H,4H2;/q3*-1;+3.
What are the key properties of benzene;cyclopenta-1,3-diene;titanium(3+)?
benzene;cyclopenta-1,3-diene;titanium(3+) has a molecular weight of 267.17 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclopenta-1,3-diene;titanium(3+) is sourced from PubChem (CID 173200897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).