(5S)-7,9-bis(trimethylsilyl)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione

C15H24O3Si2 — CID 123864675

IUPAC(5S)-7,9-bis(trimethylsilyl)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione
SMILESC[Si](C)(C)C1=C[C@@]2(CCC(=O)O2)C(=O)C([Si](C)(C)C)=C1
InChIInChI=1S/C15H24O3Si2/c1-19(2,3)11-9-12(20(4,5)6)14(17)15(10-11)8-7-13(16)18-15/h9-10H,7-8H2,1-6H3/t15-/m0/s1
InChIKeyPXVONHMXDQKSHX-HNNXBMFYSA-N
MW308.53 g/mol
LogP3.25
Rot. Bonds2

About (5S)-7,9-bis(trimethylsilyl)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione

(5S)-7,9-bis(trimethylsilyl)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione (PubChem CID 123864675) has the molecular formula C15H24O3Si2 and a molecular weight of 308.53 g/mol. Its IUPAC name is (5S)-7,9-bis(trimethylsilyl)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione.

Molecular Properties

Compound Name(5S)-7,9-bis(trimethylsilyl)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione
PubChem CID123864675
Molecular FormulaC15H24O3Si2
Molecular Weight308.53 g/mol
Exact Mass308.13
IUPAC Name(5S)-7,9-bis(trimethylsilyl)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione
SMILESC[Si](C)(C)C1=C[C@@]2(CCC(=O)O2)C(=O)C([Si](C)(C)C)=C1
InChIInChI=1S/C15H24O3Si2/c1-19(2,3)11-9-12(20(4,5)6)14(17)15(10-11)8-7-13(16)18-15/h9-10H,7-8H2,1-6H3/t15-/m0/s1
InChIKeyPXVONHMXDQKSHX-HNNXBMFYSA-N
XLogP3.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 53.25
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 (5S)-7,9-bis(trimethylsilyl)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione?
The IUPAC name of (5S)-7,9-bis(trimethylsilyl)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione (CID 123864675) is (5S)-7,9-bis(trimethylsilyl)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione.
What is the SMILES notation for (5S)-7,9-bis(trimethylsilyl)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione?
The canonical SMILES for (5S)-7,9-bis(trimethylsilyl)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione is C[Si](C)(C)C1=C[C@@]2(CCC(=O)O2)C(=O)C([Si](C)(C)C)=C1.
What is the InChIKey of (5S)-7,9-bis(trimethylsilyl)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione?
The InChIKey is PXVONHMXDQKSHX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24O3Si2/c1-19(2,3)11-9-12(20(4,5)6)14(17)15(10-11)8-7-13(16)18-15/h9-10H,7-8H2,1-6H3/t15-/m0/s1.
What are the key properties of (5S)-7,9-bis(trimethylsilyl)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione?
(5S)-7,9-bis(trimethylsilyl)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione has a molecular weight of 308.53 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7,9-bis(trimethylsilyl)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione is sourced from PubChem (CID 123864675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).