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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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).