1-silyloctane-1,2,3,4-tetrone

C8H12O4Si — CID 175450764

IUPAC1-silyloctane-1,2,3,4-tetrone
SMILESCCCCC(=O)C(=O)C(=O)C(=O)[SiH3]
InChIInChI=1S/C8H12O4Si/c1-2-3-4-5(9)6(10)7(11)8(12)13/h2-4H2,1,13H3
InChIKeySNUHOQVSIXPLNN-UHFFFAOYSA-N
MW200.27 g/mol
LogP-1.22
Rot. Bonds6

About 1-silyloctane-1,2,3,4-tetrone

1-silyloctane-1,2,3,4-tetrone (PubChem CID 175450764) has the molecular formula C8H12O4Si and a molecular weight of 200.27 g/mol. Its IUPAC name is 1-silyloctane-1,2,3,4-tetrone.

Molecular Properties

Compound Name1-silyloctane-1,2,3,4-tetrone
PubChem CID175450764
Molecular FormulaC8H12O4Si
Molecular Weight200.27 g/mol
Exact Mass200.05
IUPAC Name1-silyloctane-1,2,3,4-tetrone
SMILESCCCCC(=O)C(=O)C(=O)C(=O)[SiH3]
InChIInChI=1S/C8H12O4Si/c1-2-3-4-5(9)6(10)7(11)8(12)13/h2-4H2,1,13H3
InChIKeySNUHOQVSIXPLNN-UHFFFAOYSA-N
XLogP-1.22
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 5-1.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-silyloctane-1,2,3,4-tetrone?
The IUPAC name of 1-silyloctane-1,2,3,4-tetrone (CID 175450764) is 1-silyloctane-1,2,3,4-tetrone.
What is the SMILES notation for 1-silyloctane-1,2,3,4-tetrone?
The canonical SMILES for 1-silyloctane-1,2,3,4-tetrone is CCCCC(=O)C(=O)C(=O)C(=O)[SiH3].
What is the InChIKey of 1-silyloctane-1,2,3,4-tetrone?
The InChIKey is SNUHOQVSIXPLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4Si/c1-2-3-4-5(9)6(10)7(11)8(12)13/h2-4H2,1,13H3.
What are the key properties of 1-silyloctane-1,2,3,4-tetrone?
1-silyloctane-1,2,3,4-tetrone has a molecular weight of 200.27 g/mol, XLogP of -1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-silyloctane-1,2,3,4-tetrone is sourced from PubChem (CID 175450764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).