CID 58890822

C8H17O4Si2 — CID 58890822

IUPAC—
SMILESC[Si](C)OC(=O)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C8H17O4Si2/c1-13(2)11-7(9)6-8(10)12-14(3,4)5/h6H2,1-5H3
InChIKeyBRGCDWLTQJULHL-UHFFFAOYSA-N
MW233.39 g/mol
LogP1.55
Rot. Bonds4

About CID 58890822

CID 58890822 (PubChem CID 58890822) has the molecular formula C8H17O4Si2 and a molecular weight of 233.39 g/mol.

Molecular Properties

Compound NameCID 58890822
PubChem CID58890822
Molecular FormulaC8H17O4Si2
Molecular Weight233.39 g/mol
Exact Mass233.07
IUPAC Name—
SMILESC[Si](C)OC(=O)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C8H17O4Si2/c1-13(2)11-7(9)6-8(10)12-14(3,4)5/h6H2,1-5H3
InChIKeyBRGCDWLTQJULHL-UHFFFAOYSA-N
XLogP1.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.39
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58890822?
The IUPAC name of CID 58890822 (CID 58890822) is not available.
What is the SMILES notation for CID 58890822?
The canonical SMILES for CID 58890822 is C[Si](C)OC(=O)CC(=O)O[Si](C)(C)C.
What is the InChIKey of CID 58890822?
The InChIKey is BRGCDWLTQJULHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O4Si2/c1-13(2)11-7(9)6-8(10)12-14(3,4)5/h6H2,1-5H3.
What are the key properties of CID 58890822?
CID 58890822 has a molecular weight of 233.39 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58890822 is sourced from PubChem (CID 58890822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).