tert-butyl-[[(1R,3S,5R,6S,8R,10S,12R,13S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-13-yl]oxy]-dimethylsilane

C36H70O6Si3 — CID 11628968

IUPACtert-butyl-[[(1R,3S,5R,6S,8R,10S,12R,13S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-13-yl]oxy]-dimethylsilane
SMILESC/C=C\CC[C@@H]1O[C@@H]2C[C@@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@](C)(O[Si](C)(C)C(C)(C)C)C=C[C@H]3O[C@@]2(C)C[C@@]1(C)O[Si](C)(C)C
InChIInChI=1S/C36H70O6Si3/c1-18-19-20-21-29-36(10,41-43(11,12)13)26-35(9)30(39-29)24-28-27(40-35)22-23-34(8,42-45(16,17)33(5,6)7)31(38-28)25-37-44(14,15)32(2,3)4/h18-19,22-23,27-31H,20-21,24-26H2,1-17H3/b19-18-/t27-,28+,29+,30-,31-,34+,35+,36-/m1/s1
InChIKeyWDMPXTCRNLRBIL-FHPCSPPQSA-N
MW683.21 g/mol
LogP9.78
Rot. Bonds10

About tert-butyl-[[(1R,3S,5R,6S,8R,10S,12R,13S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-13-yl]oxy]-dimethylsilane

tert-butyl-[[(1R,3S,5R,6S,8R,10S,12R,13S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-13-yl]oxy]-dimethylsilane (PubChem CID 11628968) has the molecular formula C36H70O6Si3 and a molecular weight of 683.21 g/mol. Its IUPAC name is tert-butyl-[[(1R,3S,5R,6S,8R,10S,12R,13S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-13-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,3S,5R,6S,8R,10S,12R,13S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-13-yl]oxy]-dimethylsilane
PubChem CID11628968
Molecular FormulaC36H70O6Si3
Molecular Weight683.21 g/mol
Exact Mass682.45
IUPAC Nametert-butyl-[[(1R,3S,5R,6S,8R,10S,12R,13S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-13-yl]oxy]-dimethylsilane
SMILESC/C=C\CC[C@@H]1O[C@@H]2C[C@@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@](C)(O[Si](C)(C)C(C)(C)C)C=C[C@H]3O[C@@]2(C)C[C@@]1(C)O[Si](C)(C)C
InChIInChI=1S/C36H70O6Si3/c1-18-19-20-21-29-36(10,41-43(11,12)13)26-35(9)30(39-29)24-28-27(40-35)22-23-34(8,42-45(16,17)33(5,6)7)31(38-28)25-37-44(14,15)32(2,3)4/h18-19,22-23,27-31H,20-21,24-26H2,1-17H3/b19-18-/t27-,28+,29+,30-,31-,34+,35+,36-/m1/s1
InChIKeyWDMPXTCRNLRBIL-FHPCSPPQSA-N
XLogP9.78
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.21
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(1R,3S,5R,6S,8R,10S,12R,13S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-13-yl]oxy]-dimethylsilane with MolForge

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Related Compounds

tert-butyl-[(1R)-1-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 11430609
(+/-)-1R,3S,5S-1-tert-Butyldimethylsiloxymethyl-5-(3-hydroxypropyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol
CID 145925728
tert-butyl-[(1S,2E,4E,7R,8Z,10E)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-5,7,9-trimethyl-11-[(2R,6S)-6-methyl-3,6-dihydro-2H-pyran-2-yl]undeca-2,4,8,10-tetraenoxy]-dimethylsilane
CID 60088511
tert-butyl-[(1S)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 60088512
[(2R,3S,4S,6R)-6-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 60088517
[(2R,3S,4S,6R)-6-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-prop-1-enyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 90771901
tert-butyl-[(1S)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 91078694
tert-butyl-[(1S)-1-[(2R,4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 145782106
[(2R,3S,4R,6R)-6-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 145782110
[(E,1S)-1-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]but-2-enoxy]-tert-butyl-dimethylsilane
CID 160114993
[(2S,3R,4R,6S)-6-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 10698083
tert-butyl-[[(1R,3S,6R,8S,9R,11S,13R,14R,16S,18R,20S,25R,27S)-8-ethenyl-6,8,14,24,27-pentamethyl-2,7,12,17,21,26-hexaoxahexacyclo[14.12.0.03,13.06,11.018,27.020,25]octacos-23-en-9-yl]oxy]-dimethylsilane
CID 11169511

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,3S,5R,6S,8R,10S,12R,13S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-13-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,3S,5R,6S,8R,10S,12R,13S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-13-yl]oxy]-dimethylsilane (CID 11628968) is tert-butyl-[[(1R,3S,5R,6S,8R,10S,12R,13S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-13-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,3S,5R,6S,8R,10S,12R,13S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-13-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,3S,5R,6S,8R,10S,12R,13S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-13-yl]oxy]-dimethylsilane is C/C=C\CC[C@@H]1O[C@@H]2C[C@@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@](C)(O[Si](C)(C)C(C)(C)C)C=C[C@H]3O[C@@]2(C)C[C@@]1(C)O[Si](C)(C)C.
What is the InChIKey of tert-butyl-[[(1R,3S,5R,6S,8R,10S,12R,13S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-13-yl]oxy]-dimethylsilane?
The InChIKey is WDMPXTCRNLRBIL-FHPCSPPQSA-N. The full InChI is InChI=1S/C36H70O6Si3/c1-18-19-20-21-29-36(10,41-43(11,12)13)26-35(9)30(39-29)24-28-27(40-35)22-23-34(8,42-45(16,17)33(5,6)7)31(38-28)25-37-44(14,15)32(2,3)4/h18-19,22-23,27-31H,20-21,24-26H2,1-17H3/b19-18-/t27-,28+,29+,30-,31-,34+,35+,36-/m1/s1.
What are the key properties of tert-butyl-[[(1R,3S,5R,6S,8R,10S,12R,13S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-13-yl]oxy]-dimethylsilane?
tert-butyl-[[(1R,3S,5R,6S,8R,10S,12R,13S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-13-yl]oxy]-dimethylsilane has a molecular weight of 683.21 g/mol, XLogP of 9.78, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,3S,5R,6S,8R,10S,12R,13S)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-13-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11628968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).