1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tantalum

C10H15ClTa — CID 87523822

IUPAC1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tantalum
SMILESCC1=C(C)C(C)(C)C(Cl)=C1C.[Ta]
InChIInChI=1S/C10H15Cl.Ta/c1-6-7(2)9(11)10(4,5)8(6)3;/h1-5H3;
InChIKeyDUBAHIPQWXJEIT-UHFFFAOYSA-N
MW351.63 g/mol
LogP3.87
Rot. Bonds

About 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tantalum

1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tantalum (PubChem CID 87523822) has the molecular formula C10H15ClTa and a molecular weight of 351.63 g/mol. Its IUPAC name is 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tantalum.

Molecular Properties

Compound Name1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tantalum
PubChem CID87523822
Molecular FormulaC10H15ClTa
Molecular Weight351.63 g/mol
Exact Mass351.03
IUPAC Name1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tantalum
SMILESCC1=C(C)C(C)(C)C(Cl)=C1C.[Ta]
InChIInChI=1S/C10H15Cl.Ta/c1-6-7(2)9(11)10(4,5)8(6)3;/h1-5H3;
InChIKeyDUBAHIPQWXJEIT-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.63
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tantalum 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 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tantalum?
The IUPAC name of 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tantalum (CID 87523822) is 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tantalum.
What is the SMILES notation for 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tantalum?
The canonical SMILES for 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tantalum is CC1=C(C)C(C)(C)C(Cl)=C1C.[Ta].
What is the InChIKey of 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tantalum?
The InChIKey is DUBAHIPQWXJEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl.Ta/c1-6-7(2)9(11)10(4,5)8(6)3;/h1-5H3;.
What are the key properties of 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tantalum?
1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tantalum has a molecular weight of 351.63 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tantalum is sourced from PubChem (CID 87523822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).