[(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-dien-2-yl]methanol

C18H32O3Si — CID 139256625

IUPAC[(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-dien-2-yl]methanol
SMILESCC(C)[C@@]12C=C[C@@](C)(O1)C(CO)=C(O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C18H32O3Si/c1-13(2)18-10-9-17(6,21-18)14(12-19)15(11-18)20-22(7,8)16(3,4)5/h9-10,13,19H,11-12H2,1-8H3/t17-,18+/m1/s1
InChIKeyGVIVUFGXCWVXDU-MSOLQXFVSA-N
MW324.54 g/mol
LogP4.40
Rot. Bonds4

About [(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-dien-2-yl]methanol

[(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-dien-2-yl]methanol (PubChem CID 139256625) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is [(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-dien-2-yl]methanol.

Molecular Properties

Compound Name[(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-dien-2-yl]methanol
PubChem CID139256625
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Name[(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-dien-2-yl]methanol
SMILESCC(C)[C@@]12C=C[C@@](C)(O1)C(CO)=C(O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C18H32O3Si/c1-13(2)18-10-9-17(6,21-18)14(12-19)15(11-18)20-22(7,8)16(3,4)5/h9-10,13,19H,11-12H2,1-8H3/t17-,18+/m1/s1
InChIKeyGVIVUFGXCWVXDU-MSOLQXFVSA-N
XLogP4.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[(2S)-1-methoxy-1-oxopropan-2-yl] (1S,5S)-5-acetyl-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
CID 102063065
tert-butyl-[(4,5-dibromo-8-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)methoxy]-dimethylsilane
CID 102194821
tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol
CID 86745388
[2-bromo-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol
CID 169448639
(1R,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropane-1,3-diol
CID 11000963
[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrimidin-4-yl]methanol
CID 140964248
[(3aR,5aR,6R,10aS)-6-[tert-butyl(dimethyl)silyl]oxy-3a,5a-dimethyl-1-propan-2-yl-2,3,4,5,6,7,10,10a-octahydrocyclohepta[e]inden-8-yl]methanol
CID 10811991
2-[tert-butyl(dimethyl)silyl]oxyphenol
CID 10878826
[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]methanol
CID 139943085
1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]cyclopentan-1-ol
CID 123400363
(2R,3R)-3-[[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]-2-methylpent-4-yn-1-ol
CID 71612810
tert-butyl-dimethyl-[3-(1-methylcyclopropyl)phenoxy]silane
CID 140678448

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-dien-2-yl]methanol?
The IUPAC name of [(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-dien-2-yl]methanol (CID 139256625) is [(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-dien-2-yl]methanol.
What is the SMILES notation for [(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-dien-2-yl]methanol?
The canonical SMILES for [(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-dien-2-yl]methanol is CC(C)[C@@]12C=C[C@@](C)(O1)C(CO)=C(O[Si](C)(C)C(C)(C)C)C2.
What is the InChIKey of [(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-dien-2-yl]methanol?
The InChIKey is GVIVUFGXCWVXDU-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-13(2)18-10-9-17(6,21-18)14(12-19)15(11-18)20-22(7,8)16(3,4)5/h9-10,13,19H,11-12H2,1-8H3/t17-,18+/m1/s1.
What are the key properties of [(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-dien-2-yl]methanol?
[(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-dien-2-yl]methanol has a molecular weight of 324.54 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-dien-2-yl]methanol is sourced from PubChem (CID 139256625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).