7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]bicyclo[2.2.1]heptan-2-one

C16H30O2Si — CID 614379

IUPAC7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]bicyclo[2.2.1]heptan-2-one
SMILESCC(C)(C)[Si](C)(C)OCCCC1C2CCC1C(=O)C2
InChIInChI=1S/C16H30O2Si/c1-16(2,3)19(4,5)18-10-6-7-13-12-8-9-14(13)15(17)11-12/h12-14H,6-11H2,1-5H3
InChIKeyKYNFDILQDBIJPF-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.40
Rot. Bonds5

About 7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]bicyclo[2.2.1]heptan-2-one

7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]bicyclo[2.2.1]heptan-2-one (PubChem CID 614379) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]bicyclo[2.2.1]heptan-2-one
PubChem CID614379
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]bicyclo[2.2.1]heptan-2-one
SMILESCC(C)(C)[Si](C)(C)OCCCC1C2CCC1C(=O)C2
InChIInChI=1S/C16H30O2Si/c1-16(2,3)19(4,5)18-10-6-7-13-12-8-9-14(13)15(17)11-12/h12-14H,6-11H2,1-5H3
InChIKeyKYNFDILQDBIJPF-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10085307
(1R,3aR,7aR)-1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 11174748
(1R,3aR,7aR)-1-[(2S)-6-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 58907925
(2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-one
CID 10830887
(1R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[2.2.1]heptan-2-one
CID 10037970
1-[(1R,2S,3S,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]heptanyl]ethanone
CID 18606836
1-[(1R,2R,3S,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]heptanyl]ethanone
CID 18606837
7a-methyl-1-(1-triethylsilyloxypropan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 23517391
(1R,3aR,7aR)-1-[(2R)-6-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 58987873
(1R,3aR,7aR)-7a-methyl-1-(1-triethylsilyloxypropan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 60011483
(1R,7aR)-1-[(2S)-1-[butyl(dimethyl)silyl]oxypropan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 60091795
(7aR)-7a-methyl-1-[(2S)-1-triethylsilyloxypropan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 60104611

Frequently Asked Questions

What is the IUPAC name of 7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]bicyclo[2.2.1]heptan-2-one (CID 614379) is 7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]bicyclo[2.2.1]heptan-2-one is CC(C)(C)[Si](C)(C)OCCCC1C2CCC1C(=O)C2.
What is the InChIKey of 7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]bicyclo[2.2.1]heptan-2-one?
The InChIKey is KYNFDILQDBIJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-16(2,3)19(4,5)18-10-6-7-13-12-8-9-14(13)15(17)11-12/h12-14H,6-11H2,1-5H3.
What are the key properties of 7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]bicyclo[2.2.1]heptan-2-one?
7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]bicyclo[2.2.1]heptan-2-one has a molecular weight of 282.50 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 614379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).