CID 139211583

C10H28O4SiTi — CID 139211583

IUPAC—
SMILESCC(C)O.CC(C)O.CC(C)O.C[Si]O.[Ti]
InChIInChI=1S/3C3H8O.CH4OSi.Ti/c3*1-3(2)4;1-3-2;/h3*3-4H,1-2H3;2H,1H3;
InChIKeyLOXLHWNDFAUZBV-UHFFFAOYSA-N
MW288.28 g/mol
LogP0.80
Rot. Bonds

About CID 139211583

CID 139211583 (PubChem CID 139211583) has the molecular formula C10H28O4SiTi and a molecular weight of 288.28 g/mol.

Molecular Properties

Compound NameCID 139211583
PubChem CID139211583
Molecular FormulaC10H28O4SiTi
Molecular Weight288.28 g/mol
Exact Mass288.12
IUPAC Name—
SMILESCC(C)O.CC(C)O.CC(C)O.C[Si]O.[Ti]
InChIInChI=1S/3C3H8O.CH4OSi.Ti/c3*1-3(2)4;1-3-2;/h3*3-4H,1-2H3;2H,1H3;
InChIKeyLOXLHWNDFAUZBV-UHFFFAOYSA-N
XLogP0.80
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 139211583?
The IUPAC name of CID 139211583 (CID 139211583) is not available.
What is the SMILES notation for CID 139211583?
The canonical SMILES for CID 139211583 is CC(C)O.CC(C)O.CC(C)O.C[Si]O.[Ti].
What is the InChIKey of CID 139211583?
The InChIKey is LOXLHWNDFAUZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H8O.CH4OSi.Ti/c3*1-3(2)4;1-3-2;/h3*3-4H,1-2H3;2H,1H3;.
What are the key properties of CID 139211583?
CID 139211583 has a molecular weight of 288.28 g/mol, XLogP of 0.80, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139211583 is sourced from PubChem (CID 139211583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).