carbanide;titanium(2+);1,2,5-trimethylcyclopenta-1,3-diene

C9H14Ti — CID 151232190

IUPACcarbanide;titanium(2+);1,2,5-trimethylcyclopenta-1,3-diene
SMILESCc1cc[c-](C)c1C.[CH3-].[Ti+2]
InChIInChI=1S/C8H11.CH3.Ti/c1-6-4-5-7(2)8(6)3;;/h4-5H,1-3H3;1H3;/q2*-1;+2
InChIKeyNONHMVVGJMLIGK-UHFFFAOYSA-N
MW170.08 g/mol
LogP2.78
Rot. Bonds

About carbanide;titanium(2+);1,2,5-trimethylcyclopenta-1,3-diene

carbanide;titanium(2+);1,2,5-trimethylcyclopenta-1,3-diene (PubChem CID 151232190) has the molecular formula C9H14Ti and a molecular weight of 170.08 g/mol. Its IUPAC name is carbanide;titanium(2+);1,2,5-trimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namecarbanide;titanium(2+);1,2,5-trimethylcyclopenta-1,3-diene
PubChem CID151232190
Molecular FormulaC9H14Ti
Molecular Weight170.08 g/mol
Exact Mass170.06
IUPAC Namecarbanide;titanium(2+);1,2,5-trimethylcyclopenta-1,3-diene
SMILESCc1cc[c-](C)c1C.[CH3-].[Ti+2]
InChIInChI=1S/C8H11.CH3.Ti/c1-6-4-5-7(2)8(6)3;;/h4-5H,1-3H3;1H3;/q2*-1;+2
InChIKeyNONHMVVGJMLIGK-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.08
LogP ≤ 52.78
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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Frequently Asked Questions

What is the IUPAC name of carbanide;titanium(2+);1,2,5-trimethylcyclopenta-1,3-diene?
The IUPAC name of carbanide;titanium(2+);1,2,5-trimethylcyclopenta-1,3-diene (CID 151232190) is carbanide;titanium(2+);1,2,5-trimethylcyclopenta-1,3-diene.
What is the SMILES notation for carbanide;titanium(2+);1,2,5-trimethylcyclopenta-1,3-diene?
The canonical SMILES for carbanide;titanium(2+);1,2,5-trimethylcyclopenta-1,3-diene is Cc1cc[c-](C)c1C.[CH3-].[Ti+2].
What is the InChIKey of carbanide;titanium(2+);1,2,5-trimethylcyclopenta-1,3-diene?
The InChIKey is NONHMVVGJMLIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11.CH3.Ti/c1-6-4-5-7(2)8(6)3;;/h4-5H,1-3H3;1H3;/q2*-1;+2.
What are the key properties of carbanide;titanium(2+);1,2,5-trimethylcyclopenta-1,3-diene?
carbanide;titanium(2+);1,2,5-trimethylcyclopenta-1,3-diene has a molecular weight of 170.08 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;titanium(2+);1,2,5-trimethylcyclopenta-1,3-diene is sourced from PubChem (CID 151232190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).