1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-3-methylbenzene;titanium(4+);trichloride

C15H17Cl3Ti — CID 173385201

IUPAC1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-3-methylbenzene;titanium(4+);trichloride
SMILESCc1cccc(C(C)(C)C2=[C-]C=CC2)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C15H17.3ClH.Ti/c1-12-7-6-10-14(11-12)15(2,3)13-8-4-5-9-13;;;;/h4-7,10-11H,8H2,1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyARDUCKDLFZPWOG-UHFFFAOYSA-K
MW351.53 g/mol
LogP-5.03
Rot. Bonds2

About 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-3-methylbenzene;titanium(4+);trichloride

1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-3-methylbenzene;titanium(4+);trichloride (PubChem CID 173385201) has the molecular formula C15H17Cl3Ti and a molecular weight of 351.53 g/mol. Its IUPAC name is 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-3-methylbenzene;titanium(4+);trichloride.

Molecular Properties

Compound Name1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-3-methylbenzene;titanium(4+);trichloride
PubChem CID173385201
Molecular FormulaC15H17Cl3Ti
Molecular Weight351.53 g/mol
Exact Mass349.99
IUPAC Name1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-3-methylbenzene;titanium(4+);trichloride
SMILESCc1cccc(C(C)(C)C2=[C-]C=CC2)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C15H17.3ClH.Ti/c1-12-7-6-10-14(11-12)15(2,3)13-8-4-5-9-13;;;;/h4-7,10-11H,8H2,1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyARDUCKDLFZPWOG-UHFFFAOYSA-K
XLogP-5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.53
LogP ≤ 5-5.03
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

1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,3,5-trimethylbenzene;titanium(4+);trichloride
CID 173385136
1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene
CID 142667155
2-[2-(3-methylphenyl)propan-2-yl]pyridine
CID 130252856
1-(3-methylphenyl)ethane-1,1-diamine
CID 70165024
(2R)-2-(3-methylphenyl)propane-1,2-diol
CID 56926487
benzenethiol;1-tert-butyl-3-methylbenzene
CID 157301000
[dihydroxy-(3-methylphenyl)methyl]sulfanyl-(3-methylphenyl)methanediol
CID 150288864
(1S)-1-cyclopropyl-1-(3-methylphenyl)ethanol
CID 93311992
argon;1,3-xylene
CID 161468194
1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 79991084
1-[1,1,2,2,3,3-hexafluoro-3-(3-methylphenyl)propyl]-3-methylbenzene
CID 163492269
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-3-methylbenzene;titanium(4+);trichloride?
The IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-3-methylbenzene;titanium(4+);trichloride (CID 173385201) is 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-3-methylbenzene;titanium(4+);trichloride.
What is the SMILES notation for 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-3-methylbenzene;titanium(4+);trichloride?
The canonical SMILES for 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-3-methylbenzene;titanium(4+);trichloride is Cc1cccc(C(C)(C)C2=[C-]C=CC2)c1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-3-methylbenzene;titanium(4+);trichloride?
The InChIKey is ARDUCKDLFZPWOG-UHFFFAOYSA-K. The full InChI is InChI=1S/C15H17.3ClH.Ti/c1-12-7-6-10-14(11-12)15(2,3)13-8-4-5-9-13;;;;/h4-7,10-11H,8H2,1-3H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-3-methylbenzene;titanium(4+);trichloride?
1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-3-methylbenzene;titanium(4+);trichloride has a molecular weight of 351.53 g/mol, XLogP of -5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-3-methylbenzene;titanium(4+);trichloride is sourced from PubChem (CID 173385201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).