[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[2.2.1]hept-5-enyl]methanol

C14H26O2Si — CID 134958606

IUPAC[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C2C=CC(C2)C1CO
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-13-11-7-6-10(8-11)12(13)9-15/h6-7,10-13,15H,8-9H2,1-5H3/t10?,11?,12?,13-/m1/s1
InChIKeyGHAJVYQPOIOIPB-NODFVKRRSA-N
MW254.45 g/mol
LogP3.19
Rot. Bonds3

About [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[2.2.1]hept-5-enyl]methanol

[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[2.2.1]hept-5-enyl]methanol (PubChem CID 134958606) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[2.2.1]hept-5-enyl]methanol.

Molecular Properties

Compound Name[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[2.2.1]hept-5-enyl]methanol
PubChem CID134958606
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C2C=CC(C2)C1CO
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-13-11-7-6-10(8-11)12(13)9-15/h6-7,10-13,15H,8-9H2,1-5H3/t10?,11?,12?,13-/m1/s1
InChIKeyGHAJVYQPOIOIPB-NODFVKRRSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.19
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

(1S,2R,3R,3aS,6R,7S,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-7-ethenyl-2-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol
CID 101362169
(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
cis-(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(ethenyl)cyclopentan-1-ol
CID 134855794
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-ol
CID 134973023
3-(1-Hydroxyethyl)bicyclo[2.2.1]hept-5-en-2-ol
CID 12547582
[(3aS,5R,6S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]methanol
CID 18609021
CID 20649852
CID 20649852
CID 20649892
CID 20649892
[(3aS,5R,6S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]methanol
CID 54218157
3-[Tert-butyl(dimethyl)silyl]oxybicyclo[2.2.1]hept-5-en-2-ol
CID 58012718

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The IUPAC name of [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[2.2.1]hept-5-enyl]methanol (CID 134958606) is [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[2.2.1]hept-5-enyl]methanol.
What is the SMILES notation for [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The canonical SMILES for [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[2.2.1]hept-5-enyl]methanol is CC(C)(C)[Si](C)(C)O[C@@H]1C2C=CC(C2)C1CO.
What is the InChIKey of [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The InChIKey is GHAJVYQPOIOIPB-NODFVKRRSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-13-11-7-6-10(8-11)12(13)9-15/h6-7,10-13,15H,8-9H2,1-5H3/t10?,11?,12?,13-/m1/s1.
What are the key properties of [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[2.2.1]hept-5-enyl]methanol?
[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[2.2.1]hept-5-enyl]methanol has a molecular weight of 254.45 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[2.2.1]hept-5-enyl]methanol is sourced from PubChem (CID 134958606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).