(1S,6R,8R,9R,10S,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12,15-hexamethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-4-ol

C27H48O2Si — CID 158582771

IUPAC(1S,6R,8R,9R,10S,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12,15-hexamethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-4-ol
SMILESC[C@@H]1C[C@@H]2CC(C)(O)C=C2[C@]2(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/C27H48O2Si/c1-16-12-18-14-26(8,28)15-20(18)27(9)17(2)13-19-21(25(19,6)7)22(27)23(16)29-30(10,11)24(3,4)5/h15-19,21-23,28H,12-14H2,1-11H3/t16-,17-,18-,19-,21-,22-,23-,26?,27-/m1/s1
InChIKeyRBECVGAPZHYHOA-UJAQXCAWSA-N
MW432.77 g/mol
LogP7.05
Rot. Bonds2

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

(1S,6R,8R,9R,10S,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12,15-hexamethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-4-ol (PubChem CID 158582771) has the molecular formula C27H48O2Si and a molecular weight of 432.77 g/mol. Its IUPAC name is (1S,6R,8R,9R,10S,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12,15-hexamethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-4-ol.

Molecular Properties

Compound Name(1S,6R,8R,9R,10S,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12,15-hexamethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-4-ol
PubChem CID158582771
Molecular FormulaC27H48O2Si
Molecular Weight432.77 g/mol
Exact Mass432.34
IUPAC Name(1S,6R,8R,9R,10S,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12,15-hexamethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-4-ol
SMILESC[C@@H]1C[C@@H]2CC(C)(O)C=C2[C@]2(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/C27H48O2Si/c1-16-12-18-14-26(8,28)15-20(18)27(9)17(2)13-19-21(25(19,6)7)22(27)23(16)29-30(10,11)24(3,4)5/h15-19,21-23,28H,12-14H2,1-11H3/t16-,17-,18-,19-,21-,22-,23-,26?,27-/m1/s1
InChIKeyRBECVGAPZHYHOA-UJAQXCAWSA-N
XLogP7.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.77
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (1S,6R,8R,9R,10S,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12,15-hexamethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-4-ol?
The IUPAC name of (1S,6R,8R,9R,10S,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12,15-hexamethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-4-ol (CID 158582771) is (1S,6R,8R,9R,10S,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12,15-hexamethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-4-ol.
What is the SMILES notation for (1S,6R,8R,9R,10S,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12,15-hexamethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-4-ol?
The canonical SMILES for (1S,6R,8R,9R,10S,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12,15-hexamethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-4-ol is C[C@@H]1C[C@@H]2CC(C)(O)C=C2[C@]2(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 (1S,6R,8R,9R,10S,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12,15-hexamethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-4-ol?
The InChIKey is RBECVGAPZHYHOA-UJAQXCAWSA-N. The full InChI is InChI=1S/C27H48O2Si/c1-16-12-18-14-26(8,28)15-20(18)27(9)17(2)13-19-21(25(19,6)7)22(27)23(16)29-30(10,11)24(3,4)5/h15-19,21-23,28H,12-14H2,1-11H3/t16-,17-,18-,19-,21-,22-,23-,26?,27-/m1/s1.
What are the key properties of (1S,6R,8R,9R,10S,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12,15-hexamethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-4-ol?
(1S,6R,8R,9R,10S,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12,15-hexamethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-4-ol has a molecular weight of 432.77 g/mol, XLogP of 7.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R,8R,9R,10S,11R,13R,15R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12,15-hexamethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-4-ol is sourced from PubChem (CID 158582771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).