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

C24H42O2Si — CID 15659844

IUPAC(1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyltricyclo[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@@]3(C)C(=O)C[C@H]1CC2
InChIInChI=1S/C24H42O2Si/c1-22(2,3)27(7,8)26-20-10-9-15-24(6)19(20)14-13-17-11-12-18(16-21(24)25)23(17,4)5/h13,18-20H,9-12,14-16H2,1-8H3/b17-13-/t18-,19+,20-,24-/m1/s1
InChIKeyUNWZZEOWPXFPSL-CGWDLFQLSA-N
MW390.68 g/mol
LogP6.91
Rot. Bonds2

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

(1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one (PubChem CID 15659844) has the molecular formula C24H42O2Si and a molecular weight of 390.68 g/mol. Its IUPAC name is (1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyltricyclo[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-4,15,15-trimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one
PubChem CID15659844
Molecular FormulaC24H42O2Si
Molecular Weight390.68 g/mol
Exact Mass390.30
IUPAC Name(1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyltricyclo[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@@]3(C)C(=O)C[C@H]1CC2
InChIInChI=1S/C24H42O2Si/c1-22(2,3)27(7,8)26-20-10-9-15-24(6)19(20)14-13-17-11-12-18(16-21(24)25)23(17,4)5/h13,18-20H,9-12,14-16H2,1-8H3/b17-13-/t18-,19+,20-,24-/m1/s1
InChIKeyUNWZZEOWPXFPSL-CGWDLFQLSA-N
XLogP6.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.68
LogP ≤ 56.91
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'}

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyltricyclo[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-4,15,15-trimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one (CID 15659844) is (1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyltricyclo[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-4,15,15-trimethyltricyclo[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-4,15,15-trimethyltricyclo[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@@]3(C)C(=O)C[C@H]1CC2.
What is the InChIKey of (1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one?
The InChIKey is UNWZZEOWPXFPSL-CGWDLFQLSA-N. The full InChI is InChI=1S/C24H42O2Si/c1-22(2,3)27(7,8)26-20-10-9-15-24(6)19(20)14-13-17-11-12-18(16-21(24)25)23(17,4)5/h13,18-20H,9-12,14-16H2,1-8H3/b17-13-/t18-,19+,20-,24-/m1/s1.
What are the key properties of (1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one?
(1R,4R,8R,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one has a molecular weight of 390.68 g/mol, XLogP of 6.91, 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-4,15,15-trimethyltricyclo[10.2.1.04,9]pentadec-11-en-3-one is sourced from PubChem (CID 15659844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).