(8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol

C21H30O4Si — CID 139616238

IUPAC(8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol
SMILESC/C1=C\COCC#CCC2(O)C(=C[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)C#C1
InChIInChI=1S/C21H30O4Si/c1-16-9-10-17-15-18(22)19(25-26(5,6)20(2,3)4)21(17,23)12-7-8-13-24-14-11-16/h11,15,18-19,22-23H,12-14H2,1-6H3/b16-11+/t18-,19+,21?/m1/s1
InChIKeyYQFIQUYUPPZITG-GVDIAGNASA-N
MW374.55 g/mol
LogP2.78
Rot. Bonds2

About (8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol

(8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol (PubChem CID 139616238) has the molecular formula C21H30O4Si and a molecular weight of 374.55 g/mol. Its IUPAC name is (8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol.

Molecular Properties

Compound Name(8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol
PubChem CID139616238
Molecular FormulaC21H30O4Si
Molecular Weight374.55 g/mol
Exact Mass374.19
IUPAC Name(8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol
SMILESC/C1=C\COCC#CCC2(O)C(=C[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)C#C1
InChIInChI=1S/C21H30O4Si/c1-16-9-10-17-15-18(22)19(25-26(5,6)20(2,3)4)21(17,23)12-7-8-13-24-14-11-16/h11,15,18-19,22-23H,12-14H2,1-6H3/b16-11+/t18-,19+,21?/m1/s1
InChIKeyYQFIQUYUPPZITG-GVDIAGNASA-N
XLogP2.78
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol with MolForge

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Related Compounds

[(8Z,14R,15S)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-15-yl]oxy-tert-butyl-dimethylsilane
CID 134885267
(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol
CID 135017264
[(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane
CID 10897010
(4R,5S)-1-(4-bromobut-2-ynyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-5-hydroxy-3-methylpent-3-en-1-ynyl]cyclopent-2-en-1-ol
CID 11050057
5-[Tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol
CID 72957418
(2S,3R)-1-(4-bromobut-2-ynyl)-2-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-5-hydroxy-3-methylpent-3-en-1-ynyl]cyclopent-4-ene-1,3-diol
CID 139616245
(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol
CID 139616250
(1S,2R,6Z)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyl-12a-trimethylsilyloxy-4,5,10,11-tetradehydro-2,8,9,12-tetrahydro-1H-cyclopenta[11]annulen-9-ol
CID 139616252
(8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol
CID 139616253
(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-prop-2-ynyl-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
CID 11016297
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol
CID 11427375
(1S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
CID 11791693

Frequently Asked Questions

What is the IUPAC name of (8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol?
The IUPAC name of (8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol (CID 139616238) is (8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol.
What is the SMILES notation for (8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol?
The canonical SMILES for (8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol is C/C1=C\COCC#CCC2(O)C(=C[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)C#C1.
What is the InChIKey of (8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol?
The InChIKey is YQFIQUYUPPZITG-GVDIAGNASA-N. The full InChI is InChI=1S/C21H30O4Si/c1-16-9-10-17-15-18(22)19(25-26(5,6)20(2,3)4)21(17,23)12-7-8-13-24-14-11-16/h11,15,18-19,22-23H,12-14H2,1-6H3/b16-11+/t18-,19+,21?/m1/s1.
What are the key properties of (8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol?
(8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol has a molecular weight of 374.55 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol is sourced from PubChem (CID 139616238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).