7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-oxabicyclo[2.2.1]heptan-3-one

C15H26O3Si — CID 132553826

IUPAC7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-oxabicyclo[2.2.1]heptan-3-one
SMILESC=C(CO[Si](C)(C)C(C)(C)C)C1C2CCC1C(=O)O2
InChIInChI=1S/C15H26O3Si/c1-10(9-17-19(5,6)15(2,3)4)13-11-7-8-12(13)18-14(11)16/h11-13H,1,7-9H2,2-6H3
InChIKeyRHNSGZAUKPQCMI-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.52
Rot. Bonds4

About 7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-oxabicyclo[2.2.1]heptan-3-one

7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-oxabicyclo[2.2.1]heptan-3-one (PubChem CID 132553826) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is 7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-oxabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-oxabicyclo[2.2.1]heptan-3-one
PubChem CID132553826
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Name7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-oxabicyclo[2.2.1]heptan-3-one
SMILESC=C(CO[Si](C)(C)C(C)(C)C)C1C2CCC1C(=O)O2
InChIInChI=1S/C15H26O3Si/c1-10(9-17-19(5,6)15(2,3)4)13-11-7-8-12(13)18-14(11)16/h11-13H,1,7-9H2,2-6H3
InChIKeyRHNSGZAUKPQCMI-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.52
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'}

Analyze 7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-oxabicyclo[2.2.1]heptan-3-one with MolForge

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Related Compounds

methyl (1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 134840434
(3aS,4R,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11558252
(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11558253
(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(1-trimethylsilylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11566561
Cyclopentanecarboxylic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methyl-5-(1-methylethenyl)-, methyl ester, (1S,2R,3S,5S)-
CID 71573792

Frequently Asked Questions

What is the IUPAC name of 7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-oxabicyclo[2.2.1]heptan-3-one?
The IUPAC name of 7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-oxabicyclo[2.2.1]heptan-3-one (CID 132553826) is 7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-oxabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for 7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-oxabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for 7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-oxabicyclo[2.2.1]heptan-3-one is C=C(CO[Si](C)(C)C(C)(C)C)C1C2CCC1C(=O)O2.
What is the InChIKey of 7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-oxabicyclo[2.2.1]heptan-3-one?
The InChIKey is RHNSGZAUKPQCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-10(9-17-19(5,6)15(2,3)4)13-11-7-8-12(13)18-14(11)16/h11-13H,1,7-9H2,2-6H3.
What are the key properties of 7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-oxabicyclo[2.2.1]heptan-3-one?
7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-oxabicyclo[2.2.1]heptan-3-one has a molecular weight of 282.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-2-oxabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 132553826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).