(1R,2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol

C13H24O2Si — CID 134855644

IUPAC(1R,2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](O)[C@@H]2C=C[C@@H]21
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-8-11(14)9-6-7-10(9)12/h6-7,9-12,14H,8H2,1-5H3/t9-,10+,11-,12-/m1/s1
InChIKeyHCHFTZFXPXXEMM-WRWGMCAJSA-N
MW240.42 g/mol
LogP2.94
Rot. Bonds2

About (1R,2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol

(1R,2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol (PubChem CID 134855644) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (1R,2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol.

Molecular Properties

Compound Name(1R,2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol
PubChem CID134855644
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(1R,2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](O)[C@@H]2C=C[C@@H]21
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-8-11(14)9-6-7-10(9)12/h6-7,9-12,14H,8H2,1-5H3/t9-,10+,11-,12-/m1/s1
InChIKeyHCHFTZFXPXXEMM-WRWGMCAJSA-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,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-pent-2-enyl]cyclopentyl]methanol
CID 15343617
(1R,2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol
CID 134855614
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol
CID 134855665
cis-(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(ethenyl)cyclopentan-1-ol
CID 134855794
(3R,4R,5R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-(7-hydroxyheptyl)cyclopentane-1,3-diol
CID 134870373
[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 134958606
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol
CID 134973023
(E,3S)-1-[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylcyclopentyl]oct-1-en-3-ol
CID 134973152
(1R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-6-ol
CID 135040041
lithium;carbanide;cis-(3S,4R)-3-[(E)-4-methyl-4-trimethylsilyloxyoct-1-enyl]-4-triethylsilyloxycyclopentan-1-ol;zinc
CID 176439801
4-[Tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopentan-1-ol
CID 13633162
(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylcyclopentan-1-ol
CID 13633164

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol?
The IUPAC name of (1R,2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol (CID 134855644) is (1R,2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol.
What is the SMILES notation for (1R,2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol?
The canonical SMILES for (1R,2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](O)[C@@H]2C=C[C@@H]21.
What is the InChIKey of (1R,2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol?
The InChIKey is HCHFTZFXPXXEMM-WRWGMCAJSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-8-11(14)9-6-7-10(9)12/h6-7,9-12,14H,8H2,1-5H3/t9-,10+,11-,12-/m1/s1.
What are the key properties of (1R,2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol?
(1R,2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-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,2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol is sourced from PubChem (CID 134855644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).