(1S,2R)-1-[(3S,5R,7S,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-7-yl]-2-methylbut-3-en-1-ol

C26H50O6Si — CID 11248764

IUPAC(1S,2R)-1-[(3S,5R,7S,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-7-yl]-2-methylbut-3-en-1-ol
SMILESC=C[C@@H](C)[C@H](O)[C@@H]1O[C@]2(C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)CO2)[C@@H](C)[C@H](C)[C@H]1OCOC
InChIInChI=1S/C26H50O6Si/c1-12-19(8)23(27)25-24(29-15-28-11)20(9)21(10)26(31-25)13-22(14-30-26)32-33(16(2)3,17(4)5)18(6)7/h12,16-25,27H,1,13-15H2,2-11H3/t19-,20+,21+,22+,23+,24-,25+,26-/m1/s1
InChIKeyGOAQRZDGBPDTGK-OMQDSTFOSA-N
MW486.77 g/mol
LogP5.51
Rot. Bonds11

About (1S,2R)-1-[(3S,5R,7S,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-7-yl]-2-methylbut-3-en-1-ol

(1S,2R)-1-[(3S,5R,7S,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-7-yl]-2-methylbut-3-en-1-ol (PubChem CID 11248764) has the molecular formula C26H50O6Si and a molecular weight of 486.77 g/mol. Its IUPAC name is (1S,2R)-1-[(3S,5R,7S,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-7-yl]-2-methylbut-3-en-1-ol.

Molecular Properties

Compound Name(1S,2R)-1-[(3S,5R,7S,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-7-yl]-2-methylbut-3-en-1-ol
PubChem CID11248764
Molecular FormulaC26H50O6Si
Molecular Weight486.77 g/mol
Exact Mass486.34
IUPAC Name(1S,2R)-1-[(3S,5R,7S,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-7-yl]-2-methylbut-3-en-1-ol
SMILESC=C[C@@H](C)[C@H](O)[C@@H]1O[C@]2(C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)CO2)[C@@H](C)[C@H](C)[C@H]1OCOC
InChIInChI=1S/C26H50O6Si/c1-12-19(8)23(27)25-24(29-15-28-11)20(9)21(10)26(31-25)13-22(14-30-26)32-33(16(2)3,17(4)5)18(6)7/h12,16-25,27H,1,13-15H2,2-11H3/t19-,20+,21+,22+,23+,24-,25+,26-/m1/s1
InChIKeyGOAQRZDGBPDTGK-OMQDSTFOSA-N
XLogP5.51
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.77
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,2R)-1-[(3S,5R,7S,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-7-yl]-2-methylbut-3-en-1-ol with MolForge

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Related Compounds

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CID 11039463
(2R,3S,4R,5R,6S)-2-[(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentan-2-yl]-4-(methoxymethoxy)-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-5-ol
CID 11123792
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(2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S,6R)-6-but-3-enyl-2,6-dimethyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol
CID 11342956
(2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol
CID 15981858
(2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol
CID 134839744
1-[(4S,5S)-5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
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1-[(4S,5R)-5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 134841998
(2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S,6R)-6-but-3-enyl-2,6-dimethyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]oxolan-2-yl]oxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol
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(Z,1R)-1-[(2S)-2-[(2S)-2-hydroxyhept-6-enyl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]hex-3-ene-1,6-diol
CID 134940033
(1R)-1-[(2S)-2-[(2S)-2-hydroxyhept-6-enyl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethane-1,2-diol
CID 134940034

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[(3S,5R,7S,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-7-yl]-2-methylbut-3-en-1-ol?
The IUPAC name of (1S,2R)-1-[(3S,5R,7S,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-7-yl]-2-methylbut-3-en-1-ol (CID 11248764) is (1S,2R)-1-[(3S,5R,7S,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-7-yl]-2-methylbut-3-en-1-ol.
What is the SMILES notation for (1S,2R)-1-[(3S,5R,7S,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-7-yl]-2-methylbut-3-en-1-ol?
The canonical SMILES for (1S,2R)-1-[(3S,5R,7S,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-7-yl]-2-methylbut-3-en-1-ol is C=C[C@@H](C)[C@H](O)[C@@H]1O[C@]2(C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)CO2)[C@@H](C)[C@H](C)[C@H]1OCOC.
What is the InChIKey of (1S,2R)-1-[(3S,5R,7S,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-7-yl]-2-methylbut-3-en-1-ol?
The InChIKey is GOAQRZDGBPDTGK-OMQDSTFOSA-N. The full InChI is InChI=1S/C26H50O6Si/c1-12-19(8)23(27)25-24(29-15-28-11)20(9)21(10)26(31-25)13-22(14-30-26)32-33(16(2)3,17(4)5)18(6)7/h12,16-25,27H,1,13-15H2,2-11H3/t19-,20+,21+,22+,23+,24-,25+,26-/m1/s1.
What are the key properties of (1S,2R)-1-[(3S,5R,7S,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-7-yl]-2-methylbut-3-en-1-ol?
(1S,2R)-1-[(3S,5R,7S,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-7-yl]-2-methylbut-3-en-1-ol has a molecular weight of 486.77 g/mol, XLogP of 5.51, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[(3S,5R,7S,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-7-yl]-2-methylbut-3-en-1-ol is sourced from PubChem (CID 11248764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).