(1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-15,15-dimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one

C23H40O2Si — CID 15695162

IUPAC(1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-15,15-dimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one
SMILESCC1(C)/C2=C/C[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@H]3C(=O)C[C@H]1CC2
InChIInChI=1S/C23H40O2Si/c1-22(2,3)26(6,7)25-21-10-8-9-18-19(21)14-13-16-11-12-17(15-20(18)24)23(16,4)5/h13,17-19,21H,8-12,14-15H2,1-7H3/b16-13-/t17-,18-,19-,21-/m1/s1
InChIKeyPPYJLHCURJXXBS-DXICZVNESA-N
MW376.66 g/mol
LogP6.52
Rot. Bonds2

About (1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-15,15-dimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one

(1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-15,15-dimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one (PubChem CID 15695162) has the molecular formula C23H40O2Si and a molecular weight of 376.66 g/mol. Its IUPAC name is (1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-15,15-dimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one.

Molecular Properties

Compound Name(1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-15,15-dimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one
PubChem CID15695162
Molecular FormulaC23H40O2Si
Molecular Weight376.66 g/mol
Exact Mass376.28
IUPAC Name(1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-15,15-dimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one
SMILESCC1(C)/C2=C/C[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@H]3C(=O)C[C@H]1CC2
InChIInChI=1S/C23H40O2Si/c1-22(2,3)26(6,7)25-21-10-8-9-18-19(21)14-13-16-11-12-17(15-20(18)24)23(16,4)5/h13,17-19,21H,8-12,14-15H2,1-7H3/b16-13-/t17-,18-,19-,21-/m1/s1
InChIKeyPPYJLHCURJXXBS-DXICZVNESA-N
XLogP6.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.66
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-15,15-dimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-15,15-dimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one?
The IUPAC name of (1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-15,15-dimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one (CID 15695162) is (1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-15,15-dimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one.
What is the SMILES notation for (1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-15,15-dimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one?
The canonical SMILES for (1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-15,15-dimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one is CC1(C)/C2=C/C[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@H]3C(=O)C[C@H]1CC2.
What is the InChIKey of (1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-15,15-dimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one?
The InChIKey is PPYJLHCURJXXBS-DXICZVNESA-N. The full InChI is InChI=1S/C23H40O2Si/c1-22(2,3)26(6,7)25-21-10-8-9-18-19(21)14-13-16-11-12-17(15-20(18)24)23(16,4)5/h13,17-19,21H,8-12,14-15H2,1-7H3/b16-13-/t17-,18-,19-,21-/m1/s1.
What are the key properties of (1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-15,15-dimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one?
(1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-15,15-dimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one has a molecular weight of 376.66 g/mol, XLogP of 6.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-15,15-dimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one is sourced from PubChem (CID 15695162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).