(4R,7R,11R)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione

C14H20O3Si — CID 12062503

IUPAC(4R,7R,11R)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione
SMILESC[C@@]12C3=C([Si](C)(C)C)C(=O)O[C@@H]1CC[C@@H]2CC3=O
InChIInChI=1S/C14H20O3Si/c1-14-8-5-6-10(14)17-13(16)12(18(2,3)4)11(14)9(15)7-8/h8,10H,5-7H2,1-4H3/t8-,10-,14+/m1/s1
InChIKeyPXPXVZZFXNBWOY-PWZJLYFZSA-N
MW264.40 g/mol
LogP2.47
Rot. Bonds1

About (4R,7R,11R)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione

(4R,7R,11R)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione (PubChem CID 12062503) has the molecular formula C14H20O3Si and a molecular weight of 264.40 g/mol. Its IUPAC name is (4R,7R,11R)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione.

Molecular Properties

Compound Name(4R,7R,11R)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione
PubChem CID12062503
Molecular FormulaC14H20O3Si
Molecular Weight264.40 g/mol
Exact Mass264.12
IUPAC Name(4R,7R,11R)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione
SMILESC[C@@]12C3=C([Si](C)(C)C)C(=O)O[C@@H]1CC[C@@H]2CC3=O
InChIInChI=1S/C14H20O3Si/c1-14-8-5-6-10(14)17-13(16)12(18(2,3)4)11(14)9(15)7-8/h8,10H,5-7H2,1-4H3/t8-,10-,14+/m1/s1
InChIKeyPXPXVZZFXNBWOY-PWZJLYFZSA-N
XLogP2.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,7S,11S)-10-butyl-11-methyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione
CID 135068725
(4S,7S,11S)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione
CID 135069867
(4R,7R,11R)-10-butyl-11-methyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione
CID 12062502
[(4R,6S,7S,11R)-10-hexyl-11-methyl-2,9-dioxo-8-oxatricyclo[5.3.1.04,11]undec-1(10)-en-6-yl] acetate
CID 12062504
(4R,6S,7S,11R)-10-hexyl-6-methoxy-11-methyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione
CID 12062505
(4R,7R,11R)-10-butyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione
CID 12062509
(4R,7R,11R)-10-hexyl-11-methyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione
CID 16103728
(4R,7R,11R)-10-butyl-11-ethyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione
CID 16103735
(4R,7S,11R)-6,6-dimethyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione
CID 16103738
(4S,7R,11R)-10-hexyl-3-methyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione
CID 16103739
(4R,7R,11R)-10,11-dihexyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione
CID 16103755
(4S,7S,11S)-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione
CID 102403088

Frequently Asked Questions

What is the IUPAC name of (4R,7R,11R)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione?
The IUPAC name of (4R,7R,11R)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione (CID 12062503) is (4R,7R,11R)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione.
What is the SMILES notation for (4R,7R,11R)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione?
The canonical SMILES for (4R,7R,11R)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione is C[C@@]12C3=C([Si](C)(C)C)C(=O)O[C@@H]1CC[C@@H]2CC3=O.
What is the InChIKey of (4R,7R,11R)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione?
The InChIKey is PXPXVZZFXNBWOY-PWZJLYFZSA-N. The full InChI is InChI=1S/C14H20O3Si/c1-14-8-5-6-10(14)17-13(16)12(18(2,3)4)11(14)9(15)7-8/h8,10H,5-7H2,1-4H3/t8-,10-,14+/m1/s1.
What are the key properties of (4R,7R,11R)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione?
(4R,7R,11R)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione has a molecular weight of 264.40 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7R,11R)-11-methyl-10-trimethylsilyl-8-oxatricyclo[5.3.1.04,11]undec-1(10)-ene-2,9-dione is sourced from PubChem (CID 12062503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).