3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.2.0]hepta-3,6-dien-2-one

C14H22O2Si — CID 11184283

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.2.0]hepta-3,6-dien-2-one
SMILESCC(C)(C)[Si](C)(C)OCC1=CC2C=CC2C1=O
InChIInChI=1S/C14H22O2Si/c1-14(2,3)17(4,5)16-9-11-8-10-6-7-12(10)13(11)15/h6-8,10,12H,9H2,1-5H3
InChIKeyKCDWLFOWLGRUAU-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.32
Rot. Bonds3

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.2.0]hepta-3,6-dien-2-one

3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.2.0]hepta-3,6-dien-2-one (PubChem CID 11184283) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.2.0]hepta-3,6-dien-2-one.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.2.0]hepta-3,6-dien-2-one
PubChem CID11184283
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.2.0]hepta-3,6-dien-2-one
SMILESCC(C)(C)[Si](C)(C)OCC1=CC2C=CC2C1=O
InChIInChI=1S/C14H22O2Si/c1-14(2,3)17(4,5)16-9-11-8-10-6-7-12(10)13(11)15/h6-8,10,12H,9H2,1-5H3
InChIKeyKCDWLFOWLGRUAU-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(((Tert-butyldimethylsilyl)oxy)methyl)-2-cyclopentenone
CID 13161571
(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one
CID 11149438
(4R,5S)-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-2-methyl-4-triethylsilyloxycyclopent-2-en-1-one
CID 11581069
(RS)-3-(1-methyl-2-propenyl)-4-oxocyclopent-2-en-1-yl t-butyldimethylsilyl ether
CID 22908400
(2E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-propylidenecyclopentan-1-one
CID 58752473
(4R)-2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 67641271
3-[Tert-butyl(dimethyl)silyl]oxy-4-methyl-2-propylidenecyclopentan-1-one
CID 70862211
4-[Tert-butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-2,4-dien-1-yl)cyclopent-2-en-1-one
CID 139951772
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-6-methylcyclohex-2-en-1-one
CID 11687490
(4S,5R)-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-2-methyl-4-triethylsilyloxycyclopent-2-en-1-one
CID 16114965
(4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-2-en-1-one
CID 160896843

Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.2.0]hepta-3,6-dien-2-one?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.2.0]hepta-3,6-dien-2-one (CID 11184283) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.2.0]hepta-3,6-dien-2-one.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.2.0]hepta-3,6-dien-2-one?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.2.0]hepta-3,6-dien-2-one is CC(C)(C)[Si](C)(C)OCC1=CC2C=CC2C1=O.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.2.0]hepta-3,6-dien-2-one?
The InChIKey is KCDWLFOWLGRUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-14(2,3)17(4,5)16-9-11-8-10-6-7-12(10)13(11)15/h6-8,10,12H,9H2,1-5H3.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.2.0]hepta-3,6-dien-2-one?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.2.0]hepta-3,6-dien-2-one has a molecular weight of 250.41 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.2.0]hepta-3,6-dien-2-one is sourced from PubChem (CID 11184283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).