(1R,2S,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one

C17H28O2Si — CID 11033672

IUPAC(1R,2S,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C17H28O2Si/c1-17(2,3)20(4,5)19-14-9-8-13(18)15-11-6-7-12(10-11)16(14)15/h6-7,11-12,14-16H,8-10H2,1-5H3/t11-,12+,14-,15+,16-/m0/s1
InChIKeyFCKBUSDBOZJVPM-FSNAAORZSA-N
MW292.50 g/mol
LogP4.18
Rot. Bonds2

About (1R,2S,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one

(1R,2S,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one (PubChem CID 11033672) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is (1R,2S,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one.

Molecular Properties

Compound Name(1R,2S,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one
PubChem CID11033672
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Name(1R,2S,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C17H28O2Si/c1-17(2,3)20(4,5)19-14-9-8-13(18)15-11-6-7-12(10-11)16(14)15/h6-7,11-12,14-16H,8-10H2,1-5H3/t11-,12+,14-,15+,16-/m0/s1
InChIKeyFCKBUSDBOZJVPM-FSNAAORZSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 54.18
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,2S,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one?
The IUPAC name of (1R,2S,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one (CID 11033672) is (1R,2S,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one.
What is the SMILES notation for (1R,2S,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one?
The canonical SMILES for (1R,2S,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one is CC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1R,2S,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one?
The InChIKey is FCKBUSDBOZJVPM-FSNAAORZSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-17(2,3)20(4,5)19-14-9-8-13(18)15-11-6-7-12(10-11)16(14)15/h6-7,11-12,14-16H,8-10H2,1-5H3/t11-,12+,14-,15+,16-/m0/s1.
What are the key properties of (1R,2S,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one?
(1R,2S,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one has a molecular weight of 292.50 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undec-9-en-3-one is sourced from PubChem (CID 11033672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).