3-[2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyloxy)methyl]oxolan-2-one

C15H24O3Si — CID 21045093

IUPAC3-[2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyloxy)methyl]oxolan-2-one
SMILESC[Si](C)(C)OC(C1CCOC1=O)C1CC2C=CC1C2
InChIInChI=1S/C15H24O3Si/c1-19(2,3)18-14(12-6-7-17-15(12)16)13-9-10-4-5-11(13)8-10/h4-5,10-14H,6-9H2,1-3H3
InChIKeyRMSZMAKQXNQIAN-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.98
Rot. Bonds4

About 3-[2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyloxy)methyl]oxolan-2-one

3-[2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyloxy)methyl]oxolan-2-one (PubChem CID 21045093) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-[2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyloxy)methyl]oxolan-2-one.

Molecular Properties

Compound Name3-[2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyloxy)methyl]oxolan-2-one
PubChem CID21045093
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name3-[2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyloxy)methyl]oxolan-2-one
SMILESC[Si](C)(C)OC(C1CCOC1=O)C1CC2C=CC1C2
InChIInChI=1S/C15H24O3Si/c1-19(2,3)18-14(12-6-7-17-15(12)16)13-9-10-4-5-11(13)8-10/h4-5,10-14H,6-9H2,1-3H3
InChIKeyRMSZMAKQXNQIAN-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyloxy)methyl]oxolan-2-one?
The IUPAC name of 3-[2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyloxy)methyl]oxolan-2-one (CID 21045093) is 3-[2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyloxy)methyl]oxolan-2-one.
What is the SMILES notation for 3-[2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyloxy)methyl]oxolan-2-one?
The canonical SMILES for 3-[2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyloxy)methyl]oxolan-2-one is C[Si](C)(C)OC(C1CCOC1=O)C1CC2C=CC1C2.
What is the InChIKey of 3-[2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyloxy)methyl]oxolan-2-one?
The InChIKey is RMSZMAKQXNQIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-19(2,3)18-14(12-6-7-17-15(12)16)13-9-10-4-5-11(13)8-10/h4-5,10-14H,6-9H2,1-3H3.
What are the key properties of 3-[2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyloxy)methyl]oxolan-2-one?
3-[2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyloxy)methyl]oxolan-2-one has a molecular weight of 280.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyloxy)methyl]oxolan-2-one is sourced from PubChem (CID 21045093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).