[(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

C33H58O4Si3 — CID 134885267

IUPAC[(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
SMILESC/C1=C\COCC#CCC2(O[Si](C)(C)C(C)(C)C)C(=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)C#C1
InChIInChI=1S/C33H58O4Si3/c1-26-19-20-27-25-28(35-38(11,12)30(2,3)4)29(36-39(13,14)31(5,6)7)33(27,22-17-18-23-34-24-21-26)37-40(15,16)32(8,9)10/h21,25,28-29H,22-24H2,1-16H3/b26-21+/t28-,29+,33?/m1/s1
InChIKeyQCULWMNHGBMXMQ-VFZULTPLSA-N
MW603.08 g/mol
LogP8.84
Rot. Bonds6

About [(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

[(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 (PubChem CID 134885267) has the molecular formula C33H58O4Si3 and a molecular weight of 603.08 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID134885267
Molecular FormulaC33H58O4Si3
Molecular Weight603.08 g/mol
Exact Mass602.36
IUPAC Name[(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
SMILESC/C1=C\COCC#CCC2(O[Si](C)(C)C(C)(C)C)C(=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)C#C1
InChIInChI=1S/C33H58O4Si3/c1-26-19-20-27-25-28(35-38(11,12)30(2,3)4)29(36-39(13,14)31(5,6)7)33(27,22-17-18-23-34-24-21-26)37-40(15,16)32(8,9)10/h21,25,28-29H,22-24H2,1-16H3/b26-21+/t28-,29+,33?/m1/s1
InChIKeyQCULWMNHGBMXMQ-VFZULTPLSA-N
XLogP8.84
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.08
LogP ≤ 58.84
H-Bond Donors ≤ 50
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)-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 with MolForge

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Related Compounds

[(3R)-1-[(3aR,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxol-4-yl]-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-4,5-dien-1-yn-3-yl]oxy-tert-butyl-dimethylsilane
CID 134833386
tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane;carbon monoxide;cobalt
CID 134885136
[(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
(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
(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
tert-butyl-[(1S,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-(methoxymethoxy)-2-prop-2-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane
CID 11080876
[(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
[(1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane
CID 101693454
tert-butyl-dimethyl-[4-[(2S,3R)-2-(2-trimethylsilylethynyl)-1-oxaspiro[2.4]hept-4-en-4-yl]but-3-ynoxy]silane
CID 102119816
tert-butyl-dimethyl-[4-[(2R,3S)-2-(2-trimethylsilylethynyl)-1-oxaspiro[2.4]hept-4-en-4-yl]but-3-ynoxy]silane
CID 102119817

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C/C1=C\COCC#CCC2(O[Si](C)(C)C(C)(C)C)C(=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)C#C1.
What is the InChIKey of [(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?
The InChIKey is QCULWMNHGBMXMQ-VFZULTPLSA-N. The full InChI is InChI=1S/C33H58O4Si3/c1-26-19-20-27-25-28(35-38(11,12)30(2,3)4)29(36-39(13,14)31(5,6)7)33(27,22-17-18-23-34-24-21-26)37-40(15,16)32(8,9)10/h21,25,28-29H,22-24H2,1-16H3/b26-21+/t28-,29+,33?/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 603.08 g/mol, XLogP of 8.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 134885267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).