(1S,5R)-5-ethenyl-1,4-dimethyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one

C14H22O2Si — CID 10777102

IUPAC(1S,5R)-5-ethenyl-1,4-dimethyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one
SMILESC=C[C@@]12C(=O)C[C@]1(C)CC(O[Si](C)(C)C)=C2C
InChIInChI=1S/C14H22O2Si/c1-7-14-10(2)11(16-17(4,5)6)8-13(14,3)9-12(14)15/h7H,1,8-9H2,2-6H3/t13-,14+/m0/s1
InChIKeyUPEKKMVSIRRAFC-UONOGXRCSA-N
MW250.41 g/mol
LogP3.67
Rot. Bonds3

About (1S,5R)-5-ethenyl-1,4-dimethyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one

(1S,5R)-5-ethenyl-1,4-dimethyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one (PubChem CID 10777102) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is (1S,5R)-5-ethenyl-1,4-dimethyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one.

Molecular Properties

Compound Name(1S,5R)-5-ethenyl-1,4-dimethyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one
PubChem CID10777102
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name(1S,5R)-5-ethenyl-1,4-dimethyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one
SMILESC=C[C@@]12C(=O)C[C@]1(C)CC(O[Si](C)(C)C)=C2C
InChIInChI=1S/C14H22O2Si/c1-7-14-10(2)11(16-17(4,5)6)8-13(14,3)9-12(14)15/h7H,1,8-9H2,2-6H3/t13-,14+/m0/s1
InChIKeyUPEKKMVSIRRAFC-UONOGXRCSA-N
XLogP3.67
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 ≤ 53.67
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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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-5-ethenyl-1,4-dimethyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one?
The IUPAC name of (1S,5R)-5-ethenyl-1,4-dimethyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one (CID 10777102) is (1S,5R)-5-ethenyl-1,4-dimethyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one.
What is the SMILES notation for (1S,5R)-5-ethenyl-1,4-dimethyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one?
The canonical SMILES for (1S,5R)-5-ethenyl-1,4-dimethyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one is C=C[C@@]12C(=O)C[C@]1(C)CC(O[Si](C)(C)C)=C2C.
What is the InChIKey of (1S,5R)-5-ethenyl-1,4-dimethyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one?
The InChIKey is UPEKKMVSIRRAFC-UONOGXRCSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-7-14-10(2)11(16-17(4,5)6)8-13(14,3)9-12(14)15/h7H,1,8-9H2,2-6H3/t13-,14+/m0/s1.
What are the key properties of (1S,5R)-5-ethenyl-1,4-dimethyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one?
(1S,5R)-5-ethenyl-1,4-dimethyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one has a molecular weight of 250.41 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-5-ethenyl-1,4-dimethyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one is sourced from PubChem (CID 10777102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).