CID 134902846

C22H48Si3Ti — CID 134902846

IUPAC—
SMILESC[C]1C(C)=C(C)C(C)=C1C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Ti+3]
InChIInChI=1S/C10H15.3C4H11Si.Ti/c1-6-7(2)9(4)10(5)8(6)3;3*1-5(2,3)4;/h1-5H3;3*1H2,2-4H3;/q;3*-1;+3
InChIKeyLVSGRMKTZMPWCD-UHFFFAOYSA-N
MW444.75 g/mol
LogP8.36
Rot. Bonds

About CID 134902846

CID 134902846 (PubChem CID 134902846) has the molecular formula C22H48Si3Ti and a molecular weight of 444.75 g/mol.

Molecular Properties

Compound NameCID 134902846
PubChem CID134902846
Molecular FormulaC22H48Si3Ti
Molecular Weight444.75 g/mol
Exact Mass444.25
IUPAC Name—
SMILESC[C]1C(C)=C(C)C(C)=C1C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Ti+3]
InChIInChI=1S/C10H15.3C4H11Si.Ti/c1-6-7(2)9(4)10(5)8(6)3;3*1-5(2,3)4;/h1-5H3;3*1H2,2-4H3;/q;3*-1;+3
InChIKeyLVSGRMKTZMPWCD-UHFFFAOYSA-N
XLogP8.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.75
LogP ≤ 58.36
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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Frequently Asked Questions

What is the IUPAC name of CID 134902846?
The IUPAC name of CID 134902846 (CID 134902846) is not available.
What is the SMILES notation for CID 134902846?
The canonical SMILES for CID 134902846 is C[C]1C(C)=C(C)C(C)=C1C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Ti+3].
What is the InChIKey of CID 134902846?
The InChIKey is LVSGRMKTZMPWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.3C4H11Si.Ti/c1-6-7(2)9(4)10(5)8(6)3;3*1-5(2,3)4;/h1-5H3;3*1H2,2-4H3;/q;3*-1;+3.
What are the key properties of CID 134902846?
CID 134902846 has a molecular weight of 444.75 g/mol, XLogP of 8.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902846 is sourced from PubChem (CID 134902846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).