(1R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-6-ol

C13H24O2Si — CID 135040041

IUPAC(1R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-6-ol
SMILESCC(C)(C)[Si](C)(C)OC1[C@H](O)[C@H]2C=CC[C@@H]12
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9(10)11(12)14/h6-7,9-12,14H,8H2,1-5H3/t9-,10+,11+,12?/m0/s1
InChIKeyIAFXVSTWDSIFFZ-YZTHKRDXSA-N
MW240.42 g/mol
LogP2.94
Rot. Bonds2

About (1R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-6-ol

(1R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-6-ol (PubChem CID 135040041) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (1R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-6-ol.

Molecular Properties

Compound Name(1R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-6-ol
PubChem CID135040041
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(1R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-6-ol
SMILESCC(C)(C)[Si](C)(C)OC1[C@H](O)[C@H]2C=CC[C@@H]12
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9(10)11(12)14/h6-7,9-12,14H,8H2,1-5H3/t9-,10+,11+,12?/m0/s1
InChIKeyIAFXVSTWDSIFFZ-YZTHKRDXSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
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

(1R,2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol
CID 134855614
(1R,2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol
CID 134855644
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol
CID 134855665
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol
CID 134973023
2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethanol
CID 59317318
2-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-ol
CID 67853975
2-[(1R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethanol
CID 173725326
(1S,2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol
CID 11195827
(1S,2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol
CID 11287926
tert-butyl-dimethyl-[[(1S,5R,6R,7R)-7-tri(propan-2-yl)silyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane
CID 24823371
[(1S,5R,6S)-6-bicyclo[3.2.0]hept-2-enyl]oxy-tert-butyl-dimethylsilane
CID 59053027

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-6-ol?
The IUPAC name of (1R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-6-ol (CID 135040041) is (1R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-6-ol.
What is the SMILES notation for (1R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-6-ol?
The canonical SMILES for (1R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-6-ol is CC(C)(C)[Si](C)(C)OC1[C@H](O)[C@H]2C=CC[C@@H]12.
What is the InChIKey of (1R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-6-ol?
The InChIKey is IAFXVSTWDSIFFZ-YZTHKRDXSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9(10)11(12)14/h6-7,9-12,14H,8H2,1-5H3/t9-,10+,11+,12?/m0/s1.
What are the key properties of (1R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-6-ol?
(1R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-6-ol has a molecular weight of 240.42 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-6-ol is sourced from PubChem (CID 135040041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).