(1S,5S,8R,10R)-7-trimethylsilyloxy-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradec-6-en-13-one

C14H20O5Si — CID 11989359

IUPAC(1S,5S,8R,10R)-7-trimethylsilyloxy-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradec-6-en-13-one
SMILESC[Si](C)(C)OC1=C[C@@H]2OCC[C@]34C[C@H]1O[C@]23COC4=O
InChIInChI=1S/C14H20O5Si/c1-20(2,3)19-9-6-11-14-8-17-12(15)13(14,4-5-16-11)7-10(9)18-14/h6,10-11H,4-5,7-8H2,1-3H3/t10-,11+,13-,14-/m1/s1
InChIKeyWCXRLZPHZWBRTI-ZMJPVWNMSA-N
MW296.39 g/mol
LogP1.60
Rot. Bonds2

About (1S,5S,8R,10R)-7-trimethylsilyloxy-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradec-6-en-13-one

(1S,5S,8R,10R)-7-trimethylsilyloxy-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradec-6-en-13-one (PubChem CID 11989359) has the molecular formula C14H20O5Si and a molecular weight of 296.39 g/mol. Its IUPAC name is (1S,5S,8R,10R)-7-trimethylsilyloxy-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradec-6-en-13-one.

Molecular Properties

Compound Name(1S,5S,8R,10R)-7-trimethylsilyloxy-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradec-6-en-13-one
PubChem CID11989359
Molecular FormulaC14H20O5Si
Molecular Weight296.39 g/mol
Exact Mass296.11
IUPAC Name(1S,5S,8R,10R)-7-trimethylsilyloxy-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradec-6-en-13-one
SMILESC[Si](C)(C)OC1=C[C@@H]2OCC[C@]34C[C@H]1O[C@]23COC4=O
InChIInChI=1S/C14H20O5Si/c1-20(2,3)19-9-6-11-14-8-17-12(15)13(14,4-5-16-11)7-10(9)18-14/h6,10-11H,4-5,7-8H2,1-3H3/t10-,11+,13-,14-/m1/s1
InChIKeyWCXRLZPHZWBRTI-ZMJPVWNMSA-N
XLogP1.60
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1S,5S,8R,10R)-7-trimethylsilyloxy-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradec-6-en-13-one with MolForge

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Related Compounds

(3aS,8S,9R,9aS)-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-methyl-8-(4-methylpent-3-enyl)-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-2-one
CID 134941961
(1R,5S,8R,10R)-7-trimethylsilyloxy-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradec-6-en-13-one
CID 101417075

Frequently Asked Questions

What is the IUPAC name of (1S,5S,8R,10R)-7-trimethylsilyloxy-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradec-6-en-13-one?
The IUPAC name of (1S,5S,8R,10R)-7-trimethylsilyloxy-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradec-6-en-13-one (CID 11989359) is (1S,5S,8R,10R)-7-trimethylsilyloxy-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradec-6-en-13-one.
What is the SMILES notation for (1S,5S,8R,10R)-7-trimethylsilyloxy-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradec-6-en-13-one?
The canonical SMILES for (1S,5S,8R,10R)-7-trimethylsilyloxy-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradec-6-en-13-one is C[Si](C)(C)OC1=C[C@@H]2OCC[C@]34C[C@H]1O[C@]23COC4=O.
What is the InChIKey of (1S,5S,8R,10R)-7-trimethylsilyloxy-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradec-6-en-13-one?
The InChIKey is WCXRLZPHZWBRTI-ZMJPVWNMSA-N. The full InChI is InChI=1S/C14H20O5Si/c1-20(2,3)19-9-6-11-14-8-17-12(15)13(14,4-5-16-11)7-10(9)18-14/h6,10-11H,4-5,7-8H2,1-3H3/t10-,11+,13-,14-/m1/s1.
What are the key properties of (1S,5S,8R,10R)-7-trimethylsilyloxy-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradec-6-en-13-one?
(1S,5S,8R,10R)-7-trimethylsilyloxy-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradec-6-en-13-one has a molecular weight of 296.39 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,8R,10R)-7-trimethylsilyloxy-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradec-6-en-13-one is sourced from PubChem (CID 11989359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).