(1R,2S,3S,6R,7R,11S,12S,15S)-15-[tert-butyl(dimethyl)silyl]oxy-2,6,9,9,13,13-hexamethyl-8,10,14-trioxatetracyclo[10.2.1.01,6.07,11]pentadec-4-en-3-ol

C24H42O5Si — CID 11430569

IUPAC(1R,2S,3S,6R,7R,11S,12S,15S)-15-[tert-butyl(dimethyl)silyl]oxy-2,6,9,9,13,13-hexamethyl-8,10,14-trioxatetracyclo[10.2.1.01,6.07,11]pentadec-4-en-3-ol
SMILESC[C@H]1[C@@H](O)C=C[C@]2(C)[C@H]3OC(C)(C)O[C@H]3[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@]12OC3(C)C
InChIInChI=1S/C24H42O5Si/c1-14-15(25)12-13-23(9)19-17(26-22(7,8)27-19)16-18(24(14,23)29-21(16,5)6)28-30(10,11)20(2,3)4/h12-19,25H,1-11H3/t14-,15-,16-,17-,18-,19-,23+,24-/m0/s1
InChIKeyPXZCELVIZKHNNJ-FQLSSJAKSA-N
MW438.68 g/mol
LogP4.65
Rot. Bonds2

About (1R,2S,3S,6R,7R,11S,12S,15S)-15-[tert-butyl(dimethyl)silyl]oxy-2,6,9,9,13,13-hexamethyl-8,10,14-trioxatetracyclo[10.2.1.01,6.07,11]pentadec-4-en-3-ol

(1R,2S,3S,6R,7R,11S,12S,15S)-15-[tert-butyl(dimethyl)silyl]oxy-2,6,9,9,13,13-hexamethyl-8,10,14-trioxatetracyclo[10.2.1.01,6.07,11]pentadec-4-en-3-ol (PubChem CID 11430569) has the molecular formula C24H42O5Si and a molecular weight of 438.68 g/mol. Its IUPAC name is (1R,2S,3S,6R,7R,11S,12S,15S)-15-[tert-butyl(dimethyl)silyl]oxy-2,6,9,9,13,13-hexamethyl-8,10,14-trioxatetracyclo[10.2.1.01,6.07,11]pentadec-4-en-3-ol.

Molecular Properties

Compound Name(1R,2S,3S,6R,7R,11S,12S,15S)-15-[tert-butyl(dimethyl)silyl]oxy-2,6,9,9,13,13-hexamethyl-8,10,14-trioxatetracyclo[10.2.1.01,6.07,11]pentadec-4-en-3-ol
PubChem CID11430569
Molecular FormulaC24H42O5Si
Molecular Weight438.68 g/mol
Exact Mass438.28
IUPAC Name(1R,2S,3S,6R,7R,11S,12S,15S)-15-[tert-butyl(dimethyl)silyl]oxy-2,6,9,9,13,13-hexamethyl-8,10,14-trioxatetracyclo[10.2.1.01,6.07,11]pentadec-4-en-3-ol
SMILESC[C@H]1[C@@H](O)C=C[C@]2(C)[C@H]3OC(C)(C)O[C@H]3[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@]12OC3(C)C
InChIInChI=1S/C24H42O5Si/c1-14-15(25)12-13-23(9)19-17(26-22(7,8)27-19)16-18(24(14,23)29-21(16,5)6)28-30(10,11)20(2,3)4/h12-19,25H,1-11H3/t14-,15-,16-,17-,18-,19-,23+,24-/m0/s1
InChIKeyPXZCELVIZKHNNJ-FQLSSJAKSA-N
XLogP4.65
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.68
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,2S,3S,6R,7R,11S,12S,15S)-15-[tert-butyl(dimethyl)silyl]oxy-2,6,9,9,13,13-hexamethyl-8,10,14-trioxatetracyclo[10.2.1.01,6.07,11]pentadec-4-en-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,6R,7R,11S,12S,15S)-15-[tert-butyl(dimethyl)silyl]oxy-2,6,9,9,13,13-hexamethyl-8,10,14-trioxatetracyclo[10.2.1.01,6.07,11]pentadec-4-en-3-ol?
The IUPAC name of (1R,2S,3S,6R,7R,11S,12S,15S)-15-[tert-butyl(dimethyl)silyl]oxy-2,6,9,9,13,13-hexamethyl-8,10,14-trioxatetracyclo[10.2.1.01,6.07,11]pentadec-4-en-3-ol (CID 11430569) is (1R,2S,3S,6R,7R,11S,12S,15S)-15-[tert-butyl(dimethyl)silyl]oxy-2,6,9,9,13,13-hexamethyl-8,10,14-trioxatetracyclo[10.2.1.01,6.07,11]pentadec-4-en-3-ol.
What is the SMILES notation for (1R,2S,3S,6R,7R,11S,12S,15S)-15-[tert-butyl(dimethyl)silyl]oxy-2,6,9,9,13,13-hexamethyl-8,10,14-trioxatetracyclo[10.2.1.01,6.07,11]pentadec-4-en-3-ol?
The canonical SMILES for (1R,2S,3S,6R,7R,11S,12S,15S)-15-[tert-butyl(dimethyl)silyl]oxy-2,6,9,9,13,13-hexamethyl-8,10,14-trioxatetracyclo[10.2.1.01,6.07,11]pentadec-4-en-3-ol is C[C@H]1[C@@H](O)C=C[C@]2(C)[C@H]3OC(C)(C)O[C@H]3[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)[C@@]12OC3(C)C.
What is the InChIKey of (1R,2S,3S,6R,7R,11S,12S,15S)-15-[tert-butyl(dimethyl)silyl]oxy-2,6,9,9,13,13-hexamethyl-8,10,14-trioxatetracyclo[10.2.1.01,6.07,11]pentadec-4-en-3-ol?
The InChIKey is PXZCELVIZKHNNJ-FQLSSJAKSA-N. The full InChI is InChI=1S/C24H42O5Si/c1-14-15(25)12-13-23(9)19-17(26-22(7,8)27-19)16-18(24(14,23)29-21(16,5)6)28-30(10,11)20(2,3)4/h12-19,25H,1-11H3/t14-,15-,16-,17-,18-,19-,23+,24-/m0/s1.
What are the key properties of (1R,2S,3S,6R,7R,11S,12S,15S)-15-[tert-butyl(dimethyl)silyl]oxy-2,6,9,9,13,13-hexamethyl-8,10,14-trioxatetracyclo[10.2.1.01,6.07,11]pentadec-4-en-3-ol?
(1R,2S,3S,6R,7R,11S,12S,15S)-15-[tert-butyl(dimethyl)silyl]oxy-2,6,9,9,13,13-hexamethyl-8,10,14-trioxatetracyclo[10.2.1.01,6.07,11]pentadec-4-en-3-ol has a molecular weight of 438.68 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,6R,7R,11S,12S,15S)-15-[tert-butyl(dimethyl)silyl]oxy-2,6,9,9,13,13-hexamethyl-8,10,14-trioxatetracyclo[10.2.1.01,6.07,11]pentadec-4-en-3-ol is sourced from PubChem (CID 11430569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).