6-silabicyclo[3.1.0]hexa-1,4-dien-3-one

C5H4OSi — CID 173213237

IUPAC6-silabicyclo[3.1.0]hexa-1,4-dien-3-one
SMILESO=C1C=C2[SiH2]C2=C1
InChIInChI=1S/C5H4OSi/c6-3-1-4-5(2-3)7-4/h1-2H,7H2
InChIKeyFCFZWDCDJGTRMA-UHFFFAOYSA-N
MW108.17 g/mol
LogP-0.48
Rot. Bonds

About 6-silabicyclo[3.1.0]hexa-1,4-dien-3-one

6-silabicyclo[3.1.0]hexa-1,4-dien-3-one (PubChem CID 173213237) has the molecular formula C5H4OSi and a molecular weight of 108.17 g/mol. Its IUPAC name is 6-silabicyclo[3.1.0]hexa-1,4-dien-3-one.

Molecular Properties

Compound Name6-silabicyclo[3.1.0]hexa-1,4-dien-3-one
PubChem CID173213237
Molecular FormulaC5H4OSi
Molecular Weight108.17 g/mol
Exact Mass108.00
IUPAC Name6-silabicyclo[3.1.0]hexa-1,4-dien-3-one
SMILESO=C1C=C2[SiH2]C2=C1
InChIInChI=1S/C5H4OSi/c6-3-1-4-5(2-3)7-4/h1-2H,7H2
InChIKeyFCFZWDCDJGTRMA-UHFFFAOYSA-N
XLogP-0.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 5251414
2,6-bis(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
CID 14544995
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CID 14544996
cyclohexa-2,5-diene-1,4-dione;trihydrobromide
CID 172830306
2,6-dimethoxycyclohexa-2,5-diene-1,4-dione;hydrochloride
CID 172805370
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tricyclo[13.3.1.14,8]icosa-1(18),4,7,15-tetraene-6,17,19,20-tetrone
CID 15759179
lithium 3,5-dimethyl-4-oxidoiminocyclohexa-2,5-dien-1-one
CID 21239746
cyclohexa-2,5-diene-1,4-dione;molecular hydrogen
CID 174719917
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CID 91596056

Frequently Asked Questions

What is the IUPAC name of 6-silabicyclo[3.1.0]hexa-1,4-dien-3-one?
The IUPAC name of 6-silabicyclo[3.1.0]hexa-1,4-dien-3-one (CID 173213237) is 6-silabicyclo[3.1.0]hexa-1,4-dien-3-one.
What is the SMILES notation for 6-silabicyclo[3.1.0]hexa-1,4-dien-3-one?
The canonical SMILES for 6-silabicyclo[3.1.0]hexa-1,4-dien-3-one is O=C1C=C2[SiH2]C2=C1.
What is the InChIKey of 6-silabicyclo[3.1.0]hexa-1,4-dien-3-one?
The InChIKey is FCFZWDCDJGTRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4OSi/c6-3-1-4-5(2-3)7-4/h1-2H,7H2.
What are the key properties of 6-silabicyclo[3.1.0]hexa-1,4-dien-3-one?
6-silabicyclo[3.1.0]hexa-1,4-dien-3-one has a molecular weight of 108.17 g/mol, XLogP of -0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-silabicyclo[3.1.0]hexa-1,4-dien-3-one is sourced from PubChem (CID 173213237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).