CID 56975462

C12H23O2Si — CID 56975462

IUPAC—
SMILESCCO[Si](C=CC1CCCCC1)OCC
InChIInChI=1S/C12H23O2Si/c1-3-13-15(14-4-2)11-10-12-8-6-5-7-9-12/h10-12H,3-9H2,1-2H3
InChIKeyJSVIDRHWWRVYFR-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.22
Rot. Bonds6

About CID 56975462

CID 56975462 (PubChem CID 56975462) has the molecular formula C12H23O2Si and a molecular weight of 227.40 g/mol.

Molecular Properties

Compound NameCID 56975462
PubChem CID56975462
Molecular FormulaC12H23O2Si
Molecular Weight227.40 g/mol
Exact Mass227.15
IUPAC Name—
SMILESCCO[Si](C=CC1CCCCC1)OCC
InChIInChI=1S/C12H23O2Si/c1-3-13-15(14-4-2)11-10-12-8-6-5-7-9-12/h10-12H,3-9H2,1-2H3
InChIKeyJSVIDRHWWRVYFR-UHFFFAOYSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 56975462?
The IUPAC name of CID 56975462 (CID 56975462) is not available.
What is the SMILES notation for CID 56975462?
The canonical SMILES for CID 56975462 is CCO[Si](C=CC1CCCCC1)OCC.
What is the InChIKey of CID 56975462?
The InChIKey is JSVIDRHWWRVYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O2Si/c1-3-13-15(14-4-2)11-10-12-8-6-5-7-9-12/h10-12H,3-9H2,1-2H3.
What are the key properties of CID 56975462?
CID 56975462 has a molecular weight of 227.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 56975462 is sourced from PubChem (CID 56975462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).