CID 134902918

C14H29Cl3Si3Ti — CID 134902918

IUPAC—
SMILESC[Si](C)(C)C1=CC([Si](C)(C)C)=C([Si](C)(C)C)[CH]1.Cl[Ti](Cl)Cl
InChIInChI=1S/C14H29Si3.3ClH.Ti/c1-15(2,3)12-10-13(16(4,5)6)14(11-12)17(7,8)9;;;;/h10-11H,1-9H3;3*1H;/q;;;;+3/p-3
InChIKeyMDQVDLJPADAAQW-UHFFFAOYSA-K
MW435.87 g/mol
LogP7.13
Rot. Bonds3

About CID 134902918

CID 134902918 (PubChem CID 134902918) has the molecular formula C14H29Cl3Si3Ti and a molecular weight of 435.87 g/mol.

Molecular Properties

Compound NameCID 134902918
PubChem CID134902918
Molecular FormulaC14H29Cl3Si3Ti
Molecular Weight435.87 g/mol
Exact Mass434.01
IUPAC Name—
SMILESC[Si](C)(C)C1=CC([Si](C)(C)C)=C([Si](C)(C)C)[CH]1.Cl[Ti](Cl)Cl
InChIInChI=1S/C14H29Si3.3ClH.Ti/c1-15(2,3)12-10-13(16(4,5)6)14(11-12)17(7,8)9;;;;/h10-11H,1-9H3;3*1H;/q;;;;+3/p-3
InChIKeyMDQVDLJPADAAQW-UHFFFAOYSA-K
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.87
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134902918?
The IUPAC name of CID 134902918 (CID 134902918) is not available.
What is the SMILES notation for CID 134902918?
The canonical SMILES for CID 134902918 is C[Si](C)(C)C1=CC([Si](C)(C)C)=C([Si](C)(C)C)[CH]1.Cl[Ti](Cl)Cl.
What is the InChIKey of CID 134902918?
The InChIKey is MDQVDLJPADAAQW-UHFFFAOYSA-K. The full InChI is InChI=1S/C14H29Si3.3ClH.Ti/c1-15(2,3)12-10-13(16(4,5)6)14(11-12)17(7,8)9;;;;/h10-11H,1-9H3;3*1H;/q;;;;+3/p-3.
What are the key properties of CID 134902918?
CID 134902918 has a molecular weight of 435.87 g/mol, XLogP of 7.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902918 is sourced from PubChem (CID 134902918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).