(1R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-2-one

C13H22O2Si — CID 59053150

IUPAC(1R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2C(=O)C=C[C@@H]12
InChIInChI=1S/C13H22O2Si/c1-13(2,3)16(4,5)15-12-8-10-9(12)6-7-11(10)14/h6-7,9-10,12H,8H2,1-5H3/t9-,10-,12+/m1/s1
InChIKeyVBBUZZFBPIAMRL-FOGDFJRCSA-N
MW238.40 g/mol
LogP3.15
Rot. Bonds2

About (1R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-2-one

(1R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-2-one (PubChem CID 59053150) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is (1R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-2-one.

Molecular Properties

Compound Name(1R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-2-one
PubChem CID59053150
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name(1R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2C(=O)C=C[C@@H]12
InChIInChI=1S/C13H22O2Si/c1-13(2,3)16(4,5)15-12-8-10-9(12)6-7-11(10)14/h6-7,9-10,12H,8H2,1-5H3/t9-,10-,12+/m1/s1
InChIKeyVBBUZZFBPIAMRL-FOGDFJRCSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-2-one?
The IUPAC name of (1R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-2-one (CID 59053150) is (1R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-2-one.
What is the SMILES notation for (1R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-2-one?
The canonical SMILES for (1R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-2-one is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2C(=O)C=C[C@@H]12.
What is the InChIKey of (1R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-2-one?
The InChIKey is VBBUZZFBPIAMRL-FOGDFJRCSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-13(2,3)16(4,5)15-12-8-10-9(12)6-7-11(10)14/h6-7,9-10,12H,8H2,1-5H3/t9-,10-,12+/m1/s1.
What are the key properties of (1R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-2-one?
(1R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-2-one has a molecular weight of 238.40 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-2-one is sourced from PubChem (CID 59053150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).