CID 57455665

C12H31O3Si4 — CID 57455665

IUPAC
SMILESC[Si](C)(C)OC(CC[Si])(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H31O3Si4/c1-17(2,3)13-12(10-11-16,14-18(4,5)6)15-19(7,8)9/h10-11H2,1-9H3
InChIKeyBQHOVSKSIRATPZ-UHFFFAOYSA-N
MW335.72 g/mol
LogP4.17
Rot. Bonds8

About CID 57455665

CID 57455665 (PubChem CID 57455665) has the molecular formula C12H31O3Si4 and a molecular weight of 335.72 g/mol.

Molecular Properties

Compound NameCID 57455665
PubChem CID57455665
Molecular FormulaC12H31O3Si4
Molecular Weight335.72 g/mol
Exact Mass335.14
IUPAC Name
SMILESC[Si](C)(C)OC(CC[Si])(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H31O3Si4/c1-17(2,3)13-12(10-11-16,14-18(4,5)6)15-19(7,8)9/h10-11H2,1-9H3
InChIKeyBQHOVSKSIRATPZ-UHFFFAOYSA-N
XLogP4.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.72
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 57455665?
The IUPAC name of CID 57455665 (CID 57455665) is not available.
What is the SMILES notation for CID 57455665?
The canonical SMILES for CID 57455665 is C[Si](C)(C)OC(CC[Si])(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of CID 57455665?
The InChIKey is BQHOVSKSIRATPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H31O3Si4/c1-17(2,3)13-12(10-11-16,14-18(4,5)6)15-19(7,8)9/h10-11H2,1-9H3.
What are the key properties of CID 57455665?
CID 57455665 has a molecular weight of 335.72 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57455665 is sourced from PubChem (CID 57455665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).