3-[3-[dimethyl(propan-2-yloxy)silyl]propyl]oxolane-2,5-dione

C12H22O4Si — CID 23116712

IUPAC3-[3-[dimethyl(propan-2-yloxy)silyl]propyl]oxolane-2,5-dione
SMILESCC(C)O[Si](C)(C)CCCC1CC(=O)OC1=O
InChIInChI=1S/C12H22O4Si/c1-9(2)16-17(3,4)7-5-6-10-8-11(13)15-12(10)14/h9-10H,5-8H2,1-4H3
InChIKeyJCNNIKJXZITVAC-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.49
Rot. Bonds6

About 3-[3-[dimethyl(propan-2-yloxy)silyl]propyl]oxolane-2,5-dione

3-[3-[dimethyl(propan-2-yloxy)silyl]propyl]oxolane-2,5-dione (PubChem CID 23116712) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is 3-[3-[dimethyl(propan-2-yloxy)silyl]propyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[3-[dimethyl(propan-2-yloxy)silyl]propyl]oxolane-2,5-dione
PubChem CID23116712
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Name3-[3-[dimethyl(propan-2-yloxy)silyl]propyl]oxolane-2,5-dione
SMILESCC(C)O[Si](C)(C)CCCC1CC(=O)OC1=O
InChIInChI=1S/C12H22O4Si/c1-9(2)16-17(3,4)7-5-6-10-8-11(13)15-12(10)14/h9-10H,5-8H2,1-4H3
InChIKeyJCNNIKJXZITVAC-UHFFFAOYSA-N
XLogP2.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[dimethyl(propan-2-yloxy)silyl]propyl]oxolane-2,5-dione?
The IUPAC name of 3-[3-[dimethyl(propan-2-yloxy)silyl]propyl]oxolane-2,5-dione (CID 23116712) is 3-[3-[dimethyl(propan-2-yloxy)silyl]propyl]oxolane-2,5-dione.
What is the SMILES notation for 3-[3-[dimethyl(propan-2-yloxy)silyl]propyl]oxolane-2,5-dione?
The canonical SMILES for 3-[3-[dimethyl(propan-2-yloxy)silyl]propyl]oxolane-2,5-dione is CC(C)O[Si](C)(C)CCCC1CC(=O)OC1=O.
What is the InChIKey of 3-[3-[dimethyl(propan-2-yloxy)silyl]propyl]oxolane-2,5-dione?
The InChIKey is JCNNIKJXZITVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4Si/c1-9(2)16-17(3,4)7-5-6-10-8-11(13)15-12(10)14/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-[3-[dimethyl(propan-2-yloxy)silyl]propyl]oxolane-2,5-dione?
3-[3-[dimethyl(propan-2-yloxy)silyl]propyl]oxolane-2,5-dione has a molecular weight of 258.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[dimethyl(propan-2-yloxy)silyl]propyl]oxolane-2,5-dione is sourced from PubChem (CID 23116712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).