(1R,4S,8R,9R,10R,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12,12,15-pentamethyl-1-trimethylsilyloxytetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol

C29H52O3Si2 — CID 134844189

IUPAC(1R,4S,8R,9R,10R,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12,12,15-pentamethyl-1-trimethylsilyloxytetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol
SMILESC[C@@H]1C=C2C[C@](C)(O)C=C2[C@]2(O[Si](C)(C)C)[C@@H]([C@@H]1O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](C[C@H]2C)C1(C)C
InChIInChI=1S/C29H52O3Si2/c1-18-14-20-16-28(8,30)17-22(20)29(32-33(9,10)11)19(2)15-21-23(27(21,6)7)24(29)25(18)31-34(12,13)26(3,4)5/h14,17-19,21,23-25,30H,15-16H2,1-13H3/t18-,19-,21-,23-,24-,25-,28+,29+/m1/s1
InChIKeyTUPZAEZTXJGMFT-PVGHCQMBSA-N
MW504.90 g/mol
LogP7.55
Rot. Bonds4

About (1R,4S,8R,9R,10R,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12,12,15-pentamethyl-1-trimethylsilyloxytetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol

(1R,4S,8R,9R,10R,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12,12,15-pentamethyl-1-trimethylsilyloxytetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol (PubChem CID 134844189) has the molecular formula C29H52O3Si2 and a molecular weight of 504.90 g/mol. Its IUPAC name is (1R,4S,8R,9R,10R,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12,12,15-pentamethyl-1-trimethylsilyloxytetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol.

Molecular Properties

Compound Name(1R,4S,8R,9R,10R,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12,12,15-pentamethyl-1-trimethylsilyloxytetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol
PubChem CID134844189
Molecular FormulaC29H52O3Si2
Molecular Weight504.90 g/mol
Exact Mass504.35
IUPAC Name(1R,4S,8R,9R,10R,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12,12,15-pentamethyl-1-trimethylsilyloxytetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol
SMILESC[C@@H]1C=C2C[C@](C)(O)C=C2[C@]2(O[Si](C)(C)C)[C@@H]([C@@H]1O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](C[C@H]2C)C1(C)C
InChIInChI=1S/C29H52O3Si2/c1-18-14-20-16-28(8,30)17-22(20)29(32-33(9,10)11)19(2)15-21-23(27(21,6)7)24(29)25(18)31-34(12,13)26(3,4)5/h14,17-19,21,23-25,30H,15-16H2,1-13H3/t18-,19-,21-,23-,24-,25-,28+,29+/m1/s1
InChIKeyTUPZAEZTXJGMFT-PVGHCQMBSA-N
XLogP7.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.90
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,4S,8R,9R,10R,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12,12,15-pentamethyl-1-trimethylsilyloxytetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,8R,9R,10R,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12,12,15-pentamethyl-1-trimethylsilyloxytetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol?
The IUPAC name of (1R,4S,8R,9R,10R,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12,12,15-pentamethyl-1-trimethylsilyloxytetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol (CID 134844189) is (1R,4S,8R,9R,10R,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12,12,15-pentamethyl-1-trimethylsilyloxytetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol.
What is the SMILES notation for (1R,4S,8R,9R,10R,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12,12,15-pentamethyl-1-trimethylsilyloxytetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol?
The canonical SMILES for (1R,4S,8R,9R,10R,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12,12,15-pentamethyl-1-trimethylsilyloxytetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol is C[C@@H]1C=C2C[C@](C)(O)C=C2[C@]2(O[Si](C)(C)C)[C@@H]([C@@H]1O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](C[C@H]2C)C1(C)C.
What is the InChIKey of (1R,4S,8R,9R,10R,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12,12,15-pentamethyl-1-trimethylsilyloxytetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol?
The InChIKey is TUPZAEZTXJGMFT-PVGHCQMBSA-N. The full InChI is InChI=1S/C29H52O3Si2/c1-18-14-20-16-28(8,30)17-22(20)29(32-33(9,10)11)19(2)15-21-23(27(21,6)7)24(29)25(18)31-34(12,13)26(3,4)5/h14,17-19,21,23-25,30H,15-16H2,1-13H3/t18-,19-,21-,23-,24-,25-,28+,29+/m1/s1.
What are the key properties of (1R,4S,8R,9R,10R,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12,12,15-pentamethyl-1-trimethylsilyloxytetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol?
(1R,4S,8R,9R,10R,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12,12,15-pentamethyl-1-trimethylsilyloxytetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol has a molecular weight of 504.90 g/mol, XLogP of 7.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,8R,9R,10R,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-4,8,12,12,15-pentamethyl-1-trimethylsilyloxytetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol is sourced from PubChem (CID 134844189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).