(1S,2S,5S)-2-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-3-one

C17H30O2Si — CID 101073665

IUPAC(1S,2S,5S)-2-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-3-one
SMILESCC(C)[Si](O[C@@H]1C(=O)C[C@H]2C=C[C@@H]1C2)(C(C)C)C(C)C
InChIInChI=1S/C17H30O2Si/c1-11(2)20(12(3)4,13(5)6)19-17-15-8-7-14(9-15)10-16(17)18/h7-8,11-15,17H,9-10H2,1-6H3/t14-,15+,17-/m0/s1
InChIKeyOWPXGIXHYCXTRX-UXLLHSPISA-N
MW294.51 g/mol
LogP4.71
Rot. Bonds5

About (1S,2S,5S)-2-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-3-one

(1S,2S,5S)-2-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-3-one (PubChem CID 101073665) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is (1S,2S,5S)-2-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-3-one.

Molecular Properties

Compound Name(1S,2S,5S)-2-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-3-one
PubChem CID101073665
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name(1S,2S,5S)-2-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-3-one
SMILESCC(C)[Si](O[C@@H]1C(=O)C[C@H]2C=C[C@@H]1C2)(C(C)C)C(C)C
InChIInChI=1S/C17H30O2Si/c1-11(2)20(12(3)4,13(5)6)19-17-15-8-7-14(9-15)10-16(17)18/h7-8,11-15,17H,9-10H2,1-6H3/t14-,15+,17-/m0/s1
InChIKeyOWPXGIXHYCXTRX-UXLLHSPISA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.71
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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Related Compounds

(1S,2S,5S)-2-[2-tri(propan-2-yl)silyloxyethyl]bicyclo[3.2.1]oct-6-en-3-one
CID 146019010
4-propan-2-ylbicyclo[3.2.1]oct-2-en-6-one
CID 13347957
(4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one
CID 11817669
2-bicyclo[2.2.1]hept-5-enylmethoxy-tri(propan-2-yl)silane
CID 100919043
(4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one
CID 10990189
(4S)-bicyclo[2.2.1]hept-5-en-2-one
CID 139246523
5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one
CID 86703131
4-(2,2-difluoroethenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 67317131
(3R,4S)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 20638691
(1'R,2'R,5'S,6'S)-8'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-10'-one
CID 146020448
bicyclo[2.2.1]hept-5-en-2-one;ethene
CID 67271465
tri(propan-2-yl)-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane
CID 134959745

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S)-2-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-3-one?
The IUPAC name of (1S,2S,5S)-2-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-3-one (CID 101073665) is (1S,2S,5S)-2-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-3-one.
What is the SMILES notation for (1S,2S,5S)-2-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-3-one?
The canonical SMILES for (1S,2S,5S)-2-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-3-one is CC(C)[Si](O[C@@H]1C(=O)C[C@H]2C=C[C@@H]1C2)(C(C)C)C(C)C.
What is the InChIKey of (1S,2S,5S)-2-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-3-one?
The InChIKey is OWPXGIXHYCXTRX-UXLLHSPISA-N. The full InChI is InChI=1S/C17H30O2Si/c1-11(2)20(12(3)4,13(5)6)19-17-15-8-7-14(9-15)10-16(17)18/h7-8,11-15,17H,9-10H2,1-6H3/t14-,15+,17-/m0/s1.
What are the key properties of (1S,2S,5S)-2-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-3-one?
(1S,2S,5S)-2-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-3-one has a molecular weight of 294.51 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S)-2-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-3-one is sourced from PubChem (CID 101073665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).