CID 134902830

C22H34Si2Ti — CID 134902830

IUPAC—
SMILESCC(=[C-]\[Si](C)(C)C)/C(C)=[C-]/[Si](C)(C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+2]
InChIInChI=1S/C12H24Si2.2C5H5.Ti/c1-11(9-13(3,4)5)12(2)10-14(6,7)8;2*1-2-4-5-3-1;/h1-8H3;2*1-5H;/q-2;;;+2
InChIKeySCZQYZSYBQGPEQ-UHFFFAOYSA-N
MW402.55 g/mol
LogP6.28
Rot. Bonds3

About CID 134902830

CID 134902830 (PubChem CID 134902830) has the molecular formula C22H34Si2Ti and a molecular weight of 402.55 g/mol.

Molecular Properties

Compound NameCID 134902830
PubChem CID134902830
Molecular FormulaC22H34Si2Ti
Molecular Weight402.55 g/mol
Exact Mass402.17
IUPAC Name—
SMILESCC(=[C-]\[Si](C)(C)C)/C(C)=[C-]/[Si](C)(C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+2]
InChIInChI=1S/C12H24Si2.2C5H5.Ti/c1-11(9-13(3,4)5)12(2)10-14(6,7)8;2*1-2-4-5-3-1;/h1-8H3;2*1-5H;/q-2;;;+2
InChIKeySCZQYZSYBQGPEQ-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.55
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 134902830 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 134902830?
The IUPAC name of CID 134902830 (CID 134902830) is not available.
What is the SMILES notation for CID 134902830?
The canonical SMILES for CID 134902830 is CC(=[C-]\[Si](C)(C)C)/C(C)=[C-]/[Si](C)(C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+2].
What is the InChIKey of CID 134902830?
The InChIKey is SCZQYZSYBQGPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Si2.2C5H5.Ti/c1-11(9-13(3,4)5)12(2)10-14(6,7)8;2*1-2-4-5-3-1;/h1-8H3;2*1-5H;/q-2;;;+2.
What are the key properties of CID 134902830?
CID 134902830 has a molecular weight of 402.55 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902830 is sourced from PubChem (CID 134902830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).