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

C20H28O4Si — CID 139616253

IUPAC(8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C=C2C#C/C=C/COCC#CCC21O
InChIInChI=1S/C20H28O4Si/c1-19(2,3)25(4,5)24-18-17(21)15-16-11-7-6-9-13-23-14-10-8-12-20(16,18)22/h6,9,15,17-18,21-22H,12-14H2,1-5H3/b9-6+/t17-,18+,20?/m1/s1
InChIKeyPKINWNZJUIIGEK-MAXCUSORSA-N
MW360.53 g/mol
LogP2.39
Rot. Bonds2

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

(8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol (PubChem CID 139616253) has the molecular formula C20H28O4Si and a molecular weight of 360.53 g/mol. Its IUPAC name is (8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-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-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol
PubChem CID139616253
Molecular FormulaC20H28O4Si
Molecular Weight360.53 g/mol
Exact Mass360.18
IUPAC Name(8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C=C2C#C/C=C/COCC#CCC21O
InChIInChI=1S/C20H28O4Si/c1-19(2,3)25(4,5)24-18-17(21)15-16-11-7-6-9-13-23-14-10-8-12-20(16,18)22/h6,9,15,17-18,21-22H,12-14H2,1-5H3/b9-6+/t17-,18+,20?/m1/s1
InChIKeyPKINWNZJUIIGEK-MAXCUSORSA-N
XLogP2.39
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 52.39
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-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
[(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
(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
(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
(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
(1R)-2-ethenyl-1-[(1S)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclopent-2-en-1-ol
CID 12122261
[(8E,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 42616105

Frequently Asked Questions

What is the IUPAC name of (8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-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-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol (CID 139616253) is (8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-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-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-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol is CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C=C2C#C/C=C/COCC#CCC21O.
What is the InChIKey of (8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol?
The InChIKey is PKINWNZJUIIGEK-MAXCUSORSA-N. The full InChI is InChI=1S/C20H28O4Si/c1-19(2,3)25(4,5)24-18-17(21)15-16-11-7-6-9-13-23-14-10-8-12-20(16,18)22/h6,9,15,17-18,21-22H,12-14H2,1-5H3/b9-6+/t17-,18+,20?/m1/s1.
What are the key properties of (8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol?
(8Z,14R,15S)-15-[tert-butyl(dimethyl)silyl]oxy-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol has a molecular weight of 360.53 g/mol, XLogP of 2.39, 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-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyne-1,14-diol is sourced from PubChem (CID 139616253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).