(2R,5R,10S)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.1.02,10]undec-7-ene-9,11-dione

C17H26O3Si — CID 102329889

IUPAC(2R,5R,10S)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.1.02,10]undec-7-ene-9,11-dione
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@H]2C3C(=O)C(=CC(=O)[C@H]32)C1
InChIInChI=1S/C17H26O3Si/c1-17(2,3)21(4,5)20-11-6-7-12-14-13(18)9-10(8-11)16(19)15(12)14/h9,11-12,14-15H,6-8H2,1-5H3/t11-,12-,14-,15?/m1/s1
InChIKeyGCAYPGCUGXPEBY-TVAMOIRASA-N
MW306.48 g/mol
LogP3.50
Rot. Bonds2

About (2R,5R,10S)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.1.02,10]undec-7-ene-9,11-dione

(2R,5R,10S)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.1.02,10]undec-7-ene-9,11-dione (PubChem CID 102329889) has the molecular formula C17H26O3Si and a molecular weight of 306.48 g/mol. Its IUPAC name is (2R,5R,10S)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.1.02,10]undec-7-ene-9,11-dione.

Molecular Properties

Compound Name(2R,5R,10S)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.1.02,10]undec-7-ene-9,11-dione
PubChem CID102329889
Molecular FormulaC17H26O3Si
Molecular Weight306.48 g/mol
Exact Mass306.17
IUPAC Name(2R,5R,10S)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.1.02,10]undec-7-ene-9,11-dione
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@H]2C3C(=O)C(=CC(=O)[C@H]32)C1
InChIInChI=1S/C17H26O3Si/c1-17(2,3)21(4,5)20-11-6-7-12-14-13(18)9-10(8-11)16(19)15(12)14/h9,11-12,14-15H,6-8H2,1-5H3/t11-,12-,14-,15?/m1/s1
InChIKeyGCAYPGCUGXPEBY-TVAMOIRASA-N
XLogP3.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5R,10S)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.1.02,10]undec-7-ene-9,11-dione?
The IUPAC name of (2R,5R,10S)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.1.02,10]undec-7-ene-9,11-dione (CID 102329889) is (2R,5R,10S)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.1.02,10]undec-7-ene-9,11-dione.
What is the SMILES notation for (2R,5R,10S)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.1.02,10]undec-7-ene-9,11-dione?
The canonical SMILES for (2R,5R,10S)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.1.02,10]undec-7-ene-9,11-dione is CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@H]2C3C(=O)C(=CC(=O)[C@H]32)C1.
What is the InChIKey of (2R,5R,10S)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.1.02,10]undec-7-ene-9,11-dione?
The InChIKey is GCAYPGCUGXPEBY-TVAMOIRASA-N. The full InChI is InChI=1S/C17H26O3Si/c1-17(2,3)21(4,5)20-11-6-7-12-14-13(18)9-10(8-11)16(19)15(12)14/h9,11-12,14-15H,6-8H2,1-5H3/t11-,12-,14-,15?/m1/s1.
What are the key properties of (2R,5R,10S)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.1.02,10]undec-7-ene-9,11-dione?
(2R,5R,10S)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.1.02,10]undec-7-ene-9,11-dione has a molecular weight of 306.48 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,10S)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.1.02,10]undec-7-ene-9,11-dione is sourced from PubChem (CID 102329889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).