(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

C19H30O4Si — CID 11667465

IUPAC(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
SMILESCOCO[C@@H]([C@@H]1[C@H](C)[C@H]2C=CC=C[C@@H]1O2)[C@@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C19H30O4Si/c1-14-16-10-6-7-11-17(23-16)18(14)19(22-13-21-2)15(20)9-8-12-24(3,4)5/h6-7,10-11,14-20H,9,13H2,1-5H3/t14-,15+,16-,17+,18-,19-/m1/s1
InChIKeyAWYLVDOWEPUVLI-JWXAEQQXSA-N
MW350.53 g/mol
LogP2.75
Rot. Bonds6

About (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

(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 (PubChem CID 11667465) has the molecular formula C19H30O4Si and a molecular weight of 350.53 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID11667465
Molecular FormulaC19H30O4Si
Molecular Weight350.53 g/mol
Exact Mass350.19
IUPAC Name(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
SMILESCOCO[C@@H]([C@@H]1[C@H](C)[C@H]2C=CC=C[C@@H]1O2)[C@@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C19H30O4Si/c1-14-16-10-6-7-11-17(23-16)18(14)19(22-13-21-2)15(20)9-8-12-24(3,4)5/h6-7,10-11,14-20H,9,13H2,1-5H3/t14-,15+,16-,17+,18-,19-/m1/s1
InChIKeyAWYLVDOWEPUVLI-JWXAEQQXSA-N
XLogP2.75
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(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
(2S,3S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-3,6-dihydro-2H-pyran-3-ol
CID 11152741
(2S,3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-3,6-dihydro-2H-pyran-3-ol
CID 11210738
(2S,3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-3,6-dihydro-2H-pyran-3-ol
CID 11268541
(1R,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 16084758
(1R,2R)-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 16084761
(2R,3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]-3,6-dihydro-2H-pyran-3-ol
CID 101206855
(2R,3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,6R,7S,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]-3,6-dihydro-2H-pyran-3-ol
CID 101206856

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COCO[C@@H]([C@@H]1[C@H](C)[C@H]2C=CC=C[C@@H]1O2)[C@@H](O)CC#C[Si](C)(C)C.
What is the InChIKey of (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?
The InChIKey is AWYLVDOWEPUVLI-JWXAEQQXSA-N. The full InChI is InChI=1S/C19H30O4Si/c1-14-16-10-6-7-11-17(23-16)18(14)19(22-13-21-2)15(20)9-8-12-24(3,4)5/h6-7,10-11,14-20H,9,13H2,1-5H3/t14-,15+,16-,17+,18-,19-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 350.53 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 11667465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).