(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-ol

C25H44O4Si — CID 25111071

IUPAC(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-ol
SMILESCC(C)=C[C@@H](CC#C[C@H](O)C[C@]1(C)COC2(CCCCC2)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H44O4Si/c1-20(2)17-22(28-30(7,8)23(3,4)5)14-12-13-21(26)18-24(6)19-27-25(29-24)15-10-9-11-16-25/h17,21-22,26H,9-11,14-16,18-19H2,1-8H3/t21-,22+,24+/m0/s1
InChIKeyVYEWXSZHWPXOKI-WMTXJRDZSA-N
MW436.71 g/mol
LogP5.95
Rot. Bonds6

About (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-ol

(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-ol (PubChem CID 25111071) has the molecular formula C25H44O4Si and a molecular weight of 436.71 g/mol. Its IUPAC name is (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-ol.

Molecular Properties

Compound Name(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-ol
PubChem CID25111071
Molecular FormulaC25H44O4Si
Molecular Weight436.71 g/mol
Exact Mass436.30
IUPAC Name(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-ol
SMILESCC(C)=C[C@@H](CC#C[C@H](O)C[C@]1(C)COC2(CCCCC2)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H44O4Si/c1-20(2)17-22(28-30(7,8)23(3,4)5)14-12-13-21(26)18-24(6)19-27-25(29-24)15-10-9-11-16-25/h17,21-22,26H,9-11,14-16,18-19H2,1-8H3/t21-,22+,24+/m0/s1
InChIKeyVYEWXSZHWPXOKI-WMTXJRDZSA-N
XLogP5.95
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.71
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(2S,6R,10R,10aR)-2,6,10a-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5,8,9-tetradehydro-1,2,7,10-tetrahydrocyclopenta[9]annulen-10-ol
CID 11050626
[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[(2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-triethylsilylethynyl)oxiran-2-yl]ethynyl]cyclopent-2-en-1-yl]methanol
CID 134901189
(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-en-1-ol
CID 139252220
(4R,6S,10R,12S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10-triethylsilyloxy-5-oxatricyclo[8.3.0.04,6]tridec-1(13)-en-2,7-diyn-12-ol
CID 11384507
(4S,6R,9R,10S,12S)-12-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxatricyclo[8.3.0.04,6]tridec-1(13)-en-2,7-diyn-9-ol
CID 11407397
[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[(2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-triethylsilylethynyl)oxiran-2-yl]ethynyl]cyclopent-2-en-1-yl]methanol
CID 11410028
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanol
CID 173743486
(2S,6R,7R,10aR)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6,10a-tris(triethylsilyloxy)-4,5,8,9-tetradehydro-1,2,7,10-tetrahydrocyclopenta[9]annulen-7-ol
CID 11365847
(2S,6R,10R,10aR)-2,6,10a-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5,8,9-tetradehydro-1,2,7,10-tetrahydrocyclopenta[9]annulen-10-ol
CID 11445239
(2S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-ol
CID 25111072
[(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-yl] acetate
CID 25111073
[(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[(2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethynyloxiran-2-yl]ethynyl]-5-trimethylsilyloxycyclopenten-1-yl]methanol
CID 101181942

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-ol?
The IUPAC name of (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-ol (CID 25111071) is (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-ol.
What is the SMILES notation for (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-ol?
The canonical SMILES for (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-ol is CC(C)=C[C@@H](CC#C[C@H](O)C[C@]1(C)COC2(CCCCC2)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-ol?
The InChIKey is VYEWXSZHWPXOKI-WMTXJRDZSA-N. The full InChI is InChI=1S/C25H44O4Si/c1-20(2)17-22(28-30(7,8)23(3,4)5)14-12-13-21(26)18-24(6)19-27-25(29-24)15-10-9-11-16-25/h17,21-22,26H,9-11,14-16,18-19H2,1-8H3/t21-,22+,24+/m0/s1.
What are the key properties of (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-ol?
(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-ol has a molecular weight of 436.71 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]non-7-en-3-yn-2-ol is sourced from PubChem (CID 25111071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).