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

C26H44O2Si — CID 159853778

IUPAC(1S,4S,8R,9R,10S,11R,13R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12-pentamethyltetracyclo[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(C)CC[C@@H]3[C@H]([C@@H]2[C@@H]1O[Si](C)(C)C(C)(C)C)C3(C)C
InChIInChI=1S/C26H44O2Si/c1-16-13-17-14-25(7,27)15-19(17)26(8)12-11-18-20(24(18,5)6)21(26)22(16)28-29(9,10)23(2,3)4/h13,15-16,18,20-22,27H,11-12,14H2,1-10H3/t16-,18-,20-,21-,22-,25+,26-/m1/s1
InChIKeyNNRCVTGLNOFXDX-DKGCDBBKSA-N
MW416.72 g/mol
LogP6.72
Rot. Bonds2

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

(1S,4S,8R,9R,10S,11R,13R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12-pentamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol (PubChem CID 159853778) has the molecular formula C26H44O2Si and a molecular weight of 416.72 g/mol. Its IUPAC name is (1S,4S,8R,9R,10S,11R,13R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12-pentamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol.

Molecular Properties

Compound Name(1S,4S,8R,9R,10S,11R,13R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12-pentamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol
PubChem CID159853778
Molecular FormulaC26H44O2Si
Molecular Weight416.72 g/mol
Exact Mass416.31
IUPAC Name(1S,4S,8R,9R,10S,11R,13R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12-pentamethyltetracyclo[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(C)CC[C@@H]3[C@H]([C@@H]2[C@@H]1O[Si](C)(C)C(C)(C)C)C3(C)C
InChIInChI=1S/C26H44O2Si/c1-16-13-17-14-25(7,27)15-19(17)26(8)12-11-18-20(24(18,5)6)21(26)22(16)28-29(9,10)23(2,3)4/h13,15-16,18,20-22,27H,11-12,14H2,1-10H3/t16-,18-,20-,21-,22-,25+,26-/m1/s1
InChIKeyNNRCVTGLNOFXDX-DKGCDBBKSA-N
XLogP6.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.72
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,4S,8R,9R,10S,11R,13R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12-pentamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol?
The IUPAC name of (1S,4S,8R,9R,10S,11R,13R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12-pentamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol (CID 159853778) is (1S,4S,8R,9R,10S,11R,13R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12-pentamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol.
What is the SMILES notation for (1S,4S,8R,9R,10S,11R,13R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12-pentamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol?
The canonical SMILES for (1S,4S,8R,9R,10S,11R,13R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12-pentamethyltetracyclo[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(C)CC[C@@H]3[C@H]([C@@H]2[C@@H]1O[Si](C)(C)C(C)(C)C)C3(C)C.
What is the InChIKey of (1S,4S,8R,9R,10S,11R,13R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12-pentamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol?
The InChIKey is NNRCVTGLNOFXDX-DKGCDBBKSA-N. The full InChI is InChI=1S/C26H44O2Si/c1-16-13-17-14-25(7,27)15-19(17)26(8)12-11-18-20(24(18,5)6)21(26)22(16)28-29(9,10)23(2,3)4/h13,15-16,18,20-22,27H,11-12,14H2,1-10H3/t16-,18-,20-,21-,22-,25+,26-/m1/s1.
What are the key properties of (1S,4S,8R,9R,10S,11R,13R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12-pentamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol?
(1S,4S,8R,9R,10S,11R,13R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12-pentamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol has a molecular weight of 416.72 g/mol, XLogP of 6.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,8R,9R,10S,11R,13R)-9-[tert-butyl(dimethyl)silyl]oxy-1,4,8,12,12-pentamethyltetracyclo[8.5.0.02,6.011,13]pentadeca-2,6-dien-4-ol is sourced from PubChem (CID 159853778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).