CID 68934659

C12H23O2Si — CID 68934659

IUPAC—
SMILESCCCC[Si](OCC)OC(C)=CC1CC1
InChIInChI=1S/C12H23O2Si/c1-4-6-9-15(13-5-2)14-11(3)10-12-7-8-12/h10,12H,4-9H2,1-3H3
InChIKeyQBCDGHVYSJITKG-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.64
Rot. Bonds8

About CID 68934659

CID 68934659 (PubChem CID 68934659) has the molecular formula C12H23O2Si and a molecular weight of 227.40 g/mol.

Molecular Properties

Compound NameCID 68934659
PubChem CID68934659
Molecular FormulaC12H23O2Si
Molecular Weight227.40 g/mol
Exact Mass227.15
IUPAC Name—
SMILESCCCC[Si](OCC)OC(C)=CC1CC1
InChIInChI=1S/C12H23O2Si/c1-4-6-9-15(13-5-2)14-11(3)10-12-7-8-12/h10,12H,4-9H2,1-3H3
InChIKeyQBCDGHVYSJITKG-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 68934659?
The IUPAC name of CID 68934659 (CID 68934659) is not available.
What is the SMILES notation for CID 68934659?
The canonical SMILES for CID 68934659 is CCCC[Si](OCC)OC(C)=CC1CC1.
What is the InChIKey of CID 68934659?
The InChIKey is QBCDGHVYSJITKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O2Si/c1-4-6-9-15(13-5-2)14-11(3)10-12-7-8-12/h10,12H,4-9H2,1-3H3.
What are the key properties of CID 68934659?
CID 68934659 has a molecular weight of 227.40 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68934659 is sourced from PubChem (CID 68934659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).