CID 173299729

C38H44Cl2Si3Ti-2 — CID 173299729

IUPAC—
SMILESC[Si](C)(C)c1cc2ccccc2[c-]1-c1ccccc1.C[Si](C)(C)c1cc2ccccc2[c-]1-c1ccccc1.C[Si]C.Cl[Ti]Cl
InChIInChI=1S/2C18H19Si.C2H6Si.2ClH.Ti/c2*1-19(2,3)17-13-15-11-7-8-12-16(15)18(17)14-9-5-4-6-10-14;1-3-2;;;/h2*4-13H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyRWTAOVRWLVSVBI-UHFFFAOYSA-L
MW703.80 g/mol
LogP11.71
Rot. Bonds4

About CID 173299729

CID 173299729 (PubChem CID 173299729) has the molecular formula C38H44Cl2Si3Ti-2 and a molecular weight of 703.80 g/mol.

Molecular Properties

Compound NameCID 173299729
PubChem CID173299729
Molecular FormulaC38H44Cl2Si3Ti-2
Molecular Weight703.80 g/mol
Exact Mass702.16
IUPAC Name—
SMILESC[Si](C)(C)c1cc2ccccc2[c-]1-c1ccccc1.C[Si](C)(C)c1cc2ccccc2[c-]1-c1ccccc1.C[Si]C.Cl[Ti]Cl
InChIInChI=1S/2C18H19Si.C2H6Si.2ClH.Ti/c2*1-19(2,3)17-13-15-11-7-8-12-16(15)18(17)14-9-5-4-6-10-14;1-3-2;;;/h2*4-13H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyRWTAOVRWLVSVBI-UHFFFAOYSA-L
XLogP11.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.80
LogP ≤ 511.71
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'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173299729?
The IUPAC name of CID 173299729 (CID 173299729) is not available.
What is the SMILES notation for CID 173299729?
The canonical SMILES for CID 173299729 is C[Si](C)(C)c1cc2ccccc2[c-]1-c1ccccc1.C[Si](C)(C)c1cc2ccccc2[c-]1-c1ccccc1.C[Si]C.Cl[Ti]Cl.
What is the InChIKey of CID 173299729?
The InChIKey is RWTAOVRWLVSVBI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H19Si.C2H6Si.2ClH.Ti/c2*1-19(2,3)17-13-15-11-7-8-12-16(15)18(17)14-9-5-4-6-10-14;1-3-2;;;/h2*4-13H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of CID 173299729?
CID 173299729 has a molecular weight of 703.80 g/mol, XLogP of 11.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173299729 is sourced from PubChem (CID 173299729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).