cyclopenta-1,3-diene;cyclopentane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium

C20H25Ti-7 — CID 11986884

IUPACcyclopenta-1,3-diene;cyclopentane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium
SMILESCc1c(C)c(C)[c-](C)c1C.[Ti].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/C10H15.2C5H5.Ti/c1-6-7(2)9(4)10(5)8(6)3;2*1-2-4-5-3-1;/h1-5H3;2*1-5H;/q-1;-5;-1;
InChIKeyBVFINNJOZGEGKD-UHFFFAOYSA-N
MW313.29 g/mol
LogP5.76
Rot. Bonds

About cyclopenta-1,3-diene;cyclopentane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium

cyclopenta-1,3-diene;cyclopentane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium (PubChem CID 11986884) has the molecular formula C20H25Ti-7 and a molecular weight of 313.29 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopentane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium.

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopentane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium
PubChem CID11986884
Molecular FormulaC20H25Ti-7
Molecular Weight313.29 g/mol
Exact Mass313.15
IUPAC Namecyclopenta-1,3-diene;cyclopentane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium
SMILESCc1c(C)c(C)[c-](C)c1C.[Ti].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/C10H15.2C5H5.Ti/c1-6-7(2)9(4)10(5)8(6)3;2*1-2-4-5-3-1;/h1-5H3;2*1-5H;/q-1;-5;-1;
InChIKeyBVFINNJOZGEGKD-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.29
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;cyclopentane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;cyclopentane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium?
The IUPAC name of cyclopenta-1,3-diene;cyclopentane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium (CID 11986884) is cyclopenta-1,3-diene;cyclopentane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium.
What is the SMILES notation for cyclopenta-1,3-diene;cyclopentane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium?
The canonical SMILES for cyclopenta-1,3-diene;cyclopentane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium is Cc1c(C)c(C)[c-](C)c1C.[Ti].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;cyclopentane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium?
The InChIKey is BVFINNJOZGEGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.2C5H5.Ti/c1-6-7(2)9(4)10(5)8(6)3;2*1-2-4-5-3-1;/h1-5H3;2*1-5H;/q-1;-5;-1;.
What are the key properties of cyclopenta-1,3-diene;cyclopentane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium?
cyclopenta-1,3-diene;cyclopentane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium has a molecular weight of 313.29 g/mol, XLogP of 5.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;cyclopentane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium is sourced from PubChem (CID 11986884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).