CID 136711054

C12H21O2Si2 — CID 136711054

IUPAC—
SMILESCc1ccc(CO[Si](C)(C)O[Si](C)C)cc1
InChIInChI=1S/C12H21O2Si2/c1-11-6-8-12(9-7-11)10-13-16(4,5)14-15(2)3/h6-9H,10H2,1-5H3
InChIKeyUFGFIUPLYJMTTF-UHFFFAOYSA-N
MW253.47 g/mol
LogP3.48
Rot. Bonds5

About CID 136711054

CID 136711054 (PubChem CID 136711054) has the molecular formula C12H21O2Si2 and a molecular weight of 253.47 g/mol.

Molecular Properties

Compound NameCID 136711054
PubChem CID136711054
Molecular FormulaC12H21O2Si2
Molecular Weight253.47 g/mol
Exact Mass253.11
IUPAC Name—
SMILESCc1ccc(CO[Si](C)(C)O[Si](C)C)cc1
InChIInChI=1S/C12H21O2Si2/c1-11-6-8-12(9-7-11)10-13-16(4,5)14-15(2)3/h6-9H,10H2,1-5H3
InChIKeyUFGFIUPLYJMTTF-UHFFFAOYSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 53.48
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 136711054?
The IUPAC name of CID 136711054 (CID 136711054) is not available.
What is the SMILES notation for CID 136711054?
The canonical SMILES for CID 136711054 is Cc1ccc(CO[Si](C)(C)O[Si](C)C)cc1.
What is the InChIKey of CID 136711054?
The InChIKey is UFGFIUPLYJMTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21O2Si2/c1-11-6-8-12(9-7-11)10-13-16(4,5)14-15(2)3/h6-9H,10H2,1-5H3.
What are the key properties of CID 136711054?
CID 136711054 has a molecular weight of 253.47 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136711054 is sourced from PubChem (CID 136711054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).