[(1R,5R,7R,8R)-8-(methoxymethoxy)-7-(methoxymethoxymethyl)-7-methyl-5-(2-trimethylsilylethynyl)-6-oxabicyclo[3.2.1]oct-3-en-4-yl]methanol

C19H32O6Si — CID 162406230

IUPAC[(1R,5R,7R,8R)-8-(methoxymethoxy)-7-(methoxymethoxymethyl)-7-methyl-5-(2-trimethylsilylethynyl)-6-oxabicyclo[3.2.1]oct-3-en-4-yl]methanol
SMILESCOCOC[C@]1(C)O[C@@]2(C#C[Si](C)(C)C)C(CO)=CC[C@@H]1[C@H]2OCOC
InChIInChI=1S/C19H32O6Si/c1-18(12-23-13-21-2)16-8-7-15(11-20)19(25-18,9-10-26(4,5)6)17(16)24-14-22-3/h7,16-17,20H,8,11-14H2,1-6H3/t16-,17-,18+,19+/m1/s1
InChIKeyNFPIJNZEXBTHLN-YRXWBPOGSA-N
MW384.55 g/mol
LogP1.94
Rot. Bonds8

About [(1R,5R,7R,8R)-8-(methoxymethoxy)-7-(methoxymethoxymethyl)-7-methyl-5-(2-trimethylsilylethynyl)-6-oxabicyclo[3.2.1]oct-3-en-4-yl]methanol

[(1R,5R,7R,8R)-8-(methoxymethoxy)-7-(methoxymethoxymethyl)-7-methyl-5-(2-trimethylsilylethynyl)-6-oxabicyclo[3.2.1]oct-3-en-4-yl]methanol (PubChem CID 162406230) has the molecular formula C19H32O6Si and a molecular weight of 384.55 g/mol. Its IUPAC name is [(1R,5R,7R,8R)-8-(methoxymethoxy)-7-(methoxymethoxymethyl)-7-methyl-5-(2-trimethylsilylethynyl)-6-oxabicyclo[3.2.1]oct-3-en-4-yl]methanol.

Molecular Properties

Compound Name[(1R,5R,7R,8R)-8-(methoxymethoxy)-7-(methoxymethoxymethyl)-7-methyl-5-(2-trimethylsilylethynyl)-6-oxabicyclo[3.2.1]oct-3-en-4-yl]methanol
PubChem CID162406230
Molecular FormulaC19H32O6Si
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC Name[(1R,5R,7R,8R)-8-(methoxymethoxy)-7-(methoxymethoxymethyl)-7-methyl-5-(2-trimethylsilylethynyl)-6-oxabicyclo[3.2.1]oct-3-en-4-yl]methanol
SMILESCOCOC[C@]1(C)O[C@@]2(C#C[Si](C)(C)C)C(CO)=CC[C@@H]1[C@H]2OCOC
InChIInChI=1S/C19H32O6Si/c1-18(12-23-13-21-2)16-8-7-15(11-20)19(25-18,9-10-26(4,5)6)17(16)24-14-22-3/h7,16-17,20H,8,11-14H2,1-6H3/t16-,17-,18+,19+/m1/s1
InChIKeyNFPIJNZEXBTHLN-YRXWBPOGSA-N
XLogP1.94
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(1R,5R,7R,8R)-8-(methoxymethoxy)-7-(methoxymethoxymethyl)-7-methyl-5-(2-trimethylsilylethynyl)-6-oxabicyclo[3.2.1]oct-3-en-4-yl]methanol with MolForge

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Related Compounds

(1r,3r,7r,8z,10s,11z,13s,14r)-11-({[t-Butyl-(dimethyl)silyl]oxy}methyl)-5,5,7,14-tetramethyl-4,6-dioxatricyclo[11,4,0,0 3,7]heptadeca-8,11,15-trien-10-ol
CID 129751751
(1r,3s,7s,10s,11z,13s,14r)-11-(t-Butyl-dimethylsilyloxymethyl)-5,5,7,14-tetramethyl-4,6-dioxatricyclo[11,4,0,0 3,7]heptadeca-11,15-dien-10-ol
CID 129757540
(1r,3s,7s,8z,10s,11z,13s,14r)-11-(t-Butyldimethylsilyloxymethyl)-5,5,7,14-tetramethyl-4,6-dioxatricyclo[11,4,0,0 3,7]heptadeca-8,11,15-trien-10-ol
CID 129757626
3',4,5-Trimethyl-2'-(2-trimethylsilylethynyl)spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-ol
CID 90076438
(2R,5Z,9S,10S,14S)-9-[tert-butyl(dimethyl)silyl]oxyspiro[11,13-dioxatricyclo[7.6.1.010,14]hexadeca-1(15),5-dien-3,7-diyne-12,1'-cyclohexane]-2-ol
CID 10002600
[(3aS,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]spiro[6,7a-dihydro-3aH-1,3-benzodioxole-2,1'-cyclohexane]-5-yl]methanol
CID 10051726
(2S,5Z,9R,10R,14R)-9-[tert-butyl(dimethyl)silyl]oxyspiro[11,13-dioxatricyclo[7.6.1.010,14]hexadeca-1(15),5-dien-3,7-diyne-12,1'-cyclohexane]-2-ol
CID 10093988
[(3aR,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]spiro[6,7a-dihydro-3aH-1,3-benzodioxole-2,1'-cyclohexane]-5-yl]methanol
CID 10323728
(2S,3S,4E,6E)-8-[(2R,5S,8S,9R)-2-butyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-ynyl]-8-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,6-dimethylocta-4,6-diene-1,3-diol
CID 10973645
[(1R,2S,4S,6R,8S)-2-[diethyl(propan-2-yl)silyl]oxy-4-methoxy-5,7-dioxatricyclo[6.2.1.02,6]undec-9-en-10-yl]methanol
CID 11121844
1-[(1R,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2S,3R)-2,3-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]ethanol
CID 11261453
(1S,2S)-1-(methoxymethoxy)-1-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-5-trimethylsilylpent-4-yn-2-ol
CID 11667465

Frequently Asked Questions

What is the IUPAC name of [(1R,5R,7R,8R)-8-(methoxymethoxy)-7-(methoxymethoxymethyl)-7-methyl-5-(2-trimethylsilylethynyl)-6-oxabicyclo[3.2.1]oct-3-en-4-yl]methanol?
The IUPAC name of [(1R,5R,7R,8R)-8-(methoxymethoxy)-7-(methoxymethoxymethyl)-7-methyl-5-(2-trimethylsilylethynyl)-6-oxabicyclo[3.2.1]oct-3-en-4-yl]methanol (CID 162406230) is [(1R,5R,7R,8R)-8-(methoxymethoxy)-7-(methoxymethoxymethyl)-7-methyl-5-(2-trimethylsilylethynyl)-6-oxabicyclo[3.2.1]oct-3-en-4-yl]methanol.
What is the SMILES notation for [(1R,5R,7R,8R)-8-(methoxymethoxy)-7-(methoxymethoxymethyl)-7-methyl-5-(2-trimethylsilylethynyl)-6-oxabicyclo[3.2.1]oct-3-en-4-yl]methanol?
The canonical SMILES for [(1R,5R,7R,8R)-8-(methoxymethoxy)-7-(methoxymethoxymethyl)-7-methyl-5-(2-trimethylsilylethynyl)-6-oxabicyclo[3.2.1]oct-3-en-4-yl]methanol is COCOC[C@]1(C)O[C@@]2(C#C[Si](C)(C)C)C(CO)=CC[C@@H]1[C@H]2OCOC.
What is the InChIKey of [(1R,5R,7R,8R)-8-(methoxymethoxy)-7-(methoxymethoxymethyl)-7-methyl-5-(2-trimethylsilylethynyl)-6-oxabicyclo[3.2.1]oct-3-en-4-yl]methanol?
The InChIKey is NFPIJNZEXBTHLN-YRXWBPOGSA-N. The full InChI is InChI=1S/C19H32O6Si/c1-18(12-23-13-21-2)16-8-7-15(11-20)19(25-18,9-10-26(4,5)6)17(16)24-14-22-3/h7,16-17,20H,8,11-14H2,1-6H3/t16-,17-,18+,19+/m1/s1.
What are the key properties of [(1R,5R,7R,8R)-8-(methoxymethoxy)-7-(methoxymethoxymethyl)-7-methyl-5-(2-trimethylsilylethynyl)-6-oxabicyclo[3.2.1]oct-3-en-4-yl]methanol?
[(1R,5R,7R,8R)-8-(methoxymethoxy)-7-(methoxymethoxymethyl)-7-methyl-5-(2-trimethylsilylethynyl)-6-oxabicyclo[3.2.1]oct-3-en-4-yl]methanol has a molecular weight of 384.55 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R,7R,8R)-8-(methoxymethoxy)-7-(methoxymethoxymethyl)-7-methyl-5-(2-trimethylsilylethynyl)-6-oxabicyclo[3.2.1]oct-3-en-4-yl]methanol is sourced from PubChem (CID 162406230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).