CID 12044689

C8H18O2Si3 — CID 12044689

IUPAC—
SMILESC=C[Si](C=C)(O[Si](C)C)O[Si](C)C
InChIInChI=1S/C8H18O2Si3/c1-7-13(8-2,9-11(3)4)10-12(5)6/h7-8H,1-2H2,3-6H3
InChIKeyWOCDGOOIUVITTQ-UHFFFAOYSA-N
MW230.49 g/mol
LogP2.41
Rot. Bonds6

About CID 12044689

CID 12044689 (PubChem CID 12044689) has the molecular formula C8H18O2Si3 and a molecular weight of 230.49 g/mol.

Molecular Properties

Compound NameCID 12044689
PubChem CID12044689
Molecular FormulaC8H18O2Si3
Molecular Weight230.49 g/mol
Exact Mass230.06
IUPAC Name—
SMILESC=C[Si](C=C)(O[Si](C)C)O[Si](C)C
InChIInChI=1S/C8H18O2Si3/c1-7-13(8-2,9-11(3)4)10-12(5)6/h7-8H,1-2H2,3-6H3
InChIKeyWOCDGOOIUVITTQ-UHFFFAOYSA-N
XLogP2.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.49
LogP ≤ 52.41
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 12044689?
The IUPAC name of CID 12044689 (CID 12044689) is not available.
What is the SMILES notation for CID 12044689?
The canonical SMILES for CID 12044689 is C=C[Si](C=C)(O[Si](C)C)O[Si](C)C.
What is the InChIKey of CID 12044689?
The InChIKey is WOCDGOOIUVITTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2Si3/c1-7-13(8-2,9-11(3)4)10-12(5)6/h7-8H,1-2H2,3-6H3.
What are the key properties of CID 12044689?
CID 12044689 has a molecular weight of 230.49 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12044689 is sourced from PubChem (CID 12044689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).