CID 173068200

C19H26OSiTi- — CID 173068200

IUPAC—
SMILESCC=CC=CCOc1ccccc1.C[SiH]C.[C-]1=CC=CC1.[Ti]
InChIInChI=1S/C12H14O.C5H5.C2H7Si.Ti/c1-2-3-4-8-11-13-12-9-6-5-7-10-12;1-2-4-5-3-1;1-3-2;/h2-10H,11H2,1H3;1-3H,4H2;3H,1-2H3;/q;-1;;
InChIKeyYHKGMPDDAWTFNV-UHFFFAOYSA-N
MW346.37 g/mol
LogP5.02
Rot. Bonds4

About CID 173068200

CID 173068200 (PubChem CID 173068200) has the molecular formula C19H26OSiTi- and a molecular weight of 346.37 g/mol.

Molecular Properties

Compound NameCID 173068200
PubChem CID173068200
Molecular FormulaC19H26OSiTi-
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name—
SMILESCC=CC=CCOc1ccccc1.C[SiH]C.[C-]1=CC=CC1.[Ti]
InChIInChI=1S/C12H14O.C5H5.C2H7Si.Ti/c1-2-3-4-8-11-13-12-9-6-5-7-10-12;1-2-4-5-3-1;1-3-2;/h2-10H,11H2,1H3;1-3H,4H2;3H,1-2H3;/q;-1;;
InChIKeyYHKGMPDDAWTFNV-UHFFFAOYSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.37
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of CID 173068200?
The IUPAC name of CID 173068200 (CID 173068200) is not available.
What is the SMILES notation for CID 173068200?
The canonical SMILES for CID 173068200 is CC=CC=CCOc1ccccc1.C[SiH]C.[C-]1=CC=CC1.[Ti].
What is the InChIKey of CID 173068200?
The InChIKey is YHKGMPDDAWTFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O.C5H5.C2H7Si.Ti/c1-2-3-4-8-11-13-12-9-6-5-7-10-12;1-2-4-5-3-1;1-3-2;/h2-10H,11H2,1H3;1-3H,4H2;3H,1-2H3;/q;-1;;.
What are the key properties of CID 173068200?
CID 173068200 has a molecular weight of 346.37 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173068200 is sourced from PubChem (CID 173068200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).