CID 134902904

C20H30Br2Ti — CID 134902904

IUPAC—
SMILESBr[Ti]Br.C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C
InChIInChI=1S/2C10H15.2BrH.Ti/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q;;;;+2/p-2
InChIKeyGAIVEHOTAXTVBZ-UHFFFAOYSA-L
MW478.14 g/mol
LogP7.63
Rot. Bonds

About CID 134902904

CID 134902904 (PubChem CID 134902904) has the molecular formula C20H30Br2Ti and a molecular weight of 478.14 g/mol.

Molecular Properties

Compound NameCID 134902904
PubChem CID134902904
Molecular FormulaC20H30Br2Ti
Molecular Weight478.14 g/mol
Exact Mass476.02
IUPAC Name—
SMILESBr[Ti]Br.C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C
InChIInChI=1S/2C10H15.2BrH.Ti/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q;;;;+2/p-2
InChIKeyGAIVEHOTAXTVBZ-UHFFFAOYSA-L
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.14
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 134902904 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 CID 134902904?
The IUPAC name of CID 134902904 (CID 134902904) is not available.
What is the SMILES notation for CID 134902904?
The canonical SMILES for CID 134902904 is Br[Ti]Br.C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.
What is the InChIKey of CID 134902904?
The InChIKey is GAIVEHOTAXTVBZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H15.2BrH.Ti/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q;;;;+2/p-2.
What are the key properties of CID 134902904?
CID 134902904 has a molecular weight of 478.14 g/mol, XLogP of 7.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902904 is sourced from PubChem (CID 134902904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).