9-[tert-butyl(dimethyl)silyl]oxybicyclo[4.3.1]deca-5,8-dien-2-one

C16H26O2Si — CID 10731317

IUPAC9-[tert-butyl(dimethyl)silyl]oxybicyclo[4.3.1]deca-5,8-dien-2-one
SMILESCC(C)(C)[Si](C)(C)OC1=CCC2=CCCC(=O)C1C2
InChIInChI=1S/C16H26O2Si/c1-16(2,3)19(4,5)18-15-10-9-12-7-6-8-14(17)13(15)11-12/h7,10,13H,6,8-9,11H2,1-5H3
InChIKeyHCXQDISWBZCBJJ-UHFFFAOYSA-N
MW278.47 g/mol
LogP4.59
Rot. Bonds2

About 9-[tert-butyl(dimethyl)silyl]oxybicyclo[4.3.1]deca-5,8-dien-2-one

9-[tert-butyl(dimethyl)silyl]oxybicyclo[4.3.1]deca-5,8-dien-2-one (PubChem CID 10731317) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is 9-[tert-butyl(dimethyl)silyl]oxybicyclo[4.3.1]deca-5,8-dien-2-one.

Molecular Properties

Compound Name9-[tert-butyl(dimethyl)silyl]oxybicyclo[4.3.1]deca-5,8-dien-2-one
PubChem CID10731317
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name9-[tert-butyl(dimethyl)silyl]oxybicyclo[4.3.1]deca-5,8-dien-2-one
SMILESCC(C)(C)[Si](C)(C)OC1=CCC2=CCCC(=O)C1C2
InChIInChI=1S/C16H26O2Si/c1-16(2,3)19(4,5)18-15-10-9-12-7-6-8-14(17)13(15)11-12/h7,10,13H,6,8-9,11H2,1-5H3
InChIKeyHCXQDISWBZCBJJ-UHFFFAOYSA-N
XLogP4.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 54.59
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 9-[tert-butyl(dimethyl)silyl]oxybicyclo[4.3.1]deca-5,8-dien-2-one?
The IUPAC name of 9-[tert-butyl(dimethyl)silyl]oxybicyclo[4.3.1]deca-5,8-dien-2-one (CID 10731317) is 9-[tert-butyl(dimethyl)silyl]oxybicyclo[4.3.1]deca-5,8-dien-2-one.
What is the SMILES notation for 9-[tert-butyl(dimethyl)silyl]oxybicyclo[4.3.1]deca-5,8-dien-2-one?
The canonical SMILES for 9-[tert-butyl(dimethyl)silyl]oxybicyclo[4.3.1]deca-5,8-dien-2-one is CC(C)(C)[Si](C)(C)OC1=CCC2=CCCC(=O)C1C2.
What is the InChIKey of 9-[tert-butyl(dimethyl)silyl]oxybicyclo[4.3.1]deca-5,8-dien-2-one?
The InChIKey is HCXQDISWBZCBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-16(2,3)19(4,5)18-15-10-9-12-7-6-8-14(17)13(15)11-12/h7,10,13H,6,8-9,11H2,1-5H3.
What are the key properties of 9-[tert-butyl(dimethyl)silyl]oxybicyclo[4.3.1]deca-5,8-dien-2-one?
9-[tert-butyl(dimethyl)silyl]oxybicyclo[4.3.1]deca-5,8-dien-2-one has a molecular weight of 278.47 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[tert-butyl(dimethyl)silyl]oxybicyclo[4.3.1]deca-5,8-dien-2-one is sourced from PubChem (CID 10731317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).