1-ethyl-3-methylcyclopenta-1,3-diene;titanium

C8H11Ti- — CID 174586215

IUPAC1-ethyl-3-methylcyclopenta-1,3-diene;titanium
SMILESCCC1=CC(C)=[C-]C1.[Ti]
InChIInChI=1S/C8H11.Ti/c1-3-8-5-4-7(2)6-8;/h6H,3,5H2,1-2H3;/q-1;
InChIKeyLAJWBPZMEWXCTH-UHFFFAOYSA-N
MW155.04 g/mol
LogP2.47
Rot. Bonds1

About 1-ethyl-3-methylcyclopenta-1,3-diene;titanium

1-ethyl-3-methylcyclopenta-1,3-diene;titanium (PubChem CID 174586215) has the molecular formula C8H11Ti- and a molecular weight of 155.04 g/mol. Its IUPAC name is 1-ethyl-3-methylcyclopenta-1,3-diene;titanium.

Molecular Properties

Compound Name1-ethyl-3-methylcyclopenta-1,3-diene;titanium
PubChem CID174586215
Molecular FormulaC8H11Ti-
Molecular Weight155.04 g/mol
Exact Mass155.03
IUPAC Name1-ethyl-3-methylcyclopenta-1,3-diene;titanium
SMILESCCC1=CC(C)=[C-]C1.[Ti]
InChIInChI=1S/C8H11.Ti/c1-3-8-5-4-7(2)6-8;/h6H,3,5H2,1-2H3;/q-1;
InChIKeyLAJWBPZMEWXCTH-UHFFFAOYSA-N
XLogP2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.04
LogP ≤ 52.47
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 1-ethyl-3-methylcyclopenta-1,3-diene;titanium?
The IUPAC name of 1-ethyl-3-methylcyclopenta-1,3-diene;titanium (CID 174586215) is 1-ethyl-3-methylcyclopenta-1,3-diene;titanium.
What is the SMILES notation for 1-ethyl-3-methylcyclopenta-1,3-diene;titanium?
The canonical SMILES for 1-ethyl-3-methylcyclopenta-1,3-diene;titanium is CCC1=CC(C)=[C-]C1.[Ti].
What is the InChIKey of 1-ethyl-3-methylcyclopenta-1,3-diene;titanium?
The InChIKey is LAJWBPZMEWXCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11.Ti/c1-3-8-5-4-7(2)6-8;/h6H,3,5H2,1-2H3;/q-1;.
What are the key properties of 1-ethyl-3-methylcyclopenta-1,3-diene;titanium?
1-ethyl-3-methylcyclopenta-1,3-diene;titanium has a molecular weight of 155.04 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylcyclopenta-1,3-diene;titanium is sourced from PubChem (CID 174586215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).