(3S,4R,5S)-3-butyl-4-[dimethyl(phenyl)silyl]-5-methyloxolan-2-one

C17H26O2Si — CID 10880810

IUPAC(3S,4R,5S)-3-butyl-4-[dimethyl(phenyl)silyl]-5-methyloxolan-2-one
SMILESCCCC[C@H]1C(=O)O[C@@H](C)[C@@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H26O2Si/c1-5-6-12-15-16(13(2)19-17(15)18)20(3,4)14-10-8-7-9-11-14/h7-11,13,15-16H,5-6,12H2,1-4H3/t13-,15+,16-/m0/s1
InChIKeyKPGAKVLDQFRUNF-IMJJTQAJSA-N
MW290.48 g/mol
LogP3.72
Rot. Bonds5

About (3S,4R,5S)-3-butyl-4-[dimethyl(phenyl)silyl]-5-methyloxolan-2-one

(3S,4R,5S)-3-butyl-4-[dimethyl(phenyl)silyl]-5-methyloxolan-2-one (PubChem CID 10880810) has the molecular formula C17H26O2Si and a molecular weight of 290.48 g/mol. Its IUPAC name is (3S,4R,5S)-3-butyl-4-[dimethyl(phenyl)silyl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5S)-3-butyl-4-[dimethyl(phenyl)silyl]-5-methyloxolan-2-one
PubChem CID10880810
Molecular FormulaC17H26O2Si
Molecular Weight290.48 g/mol
Exact Mass290.17
IUPAC Name(3S,4R,5S)-3-butyl-4-[dimethyl(phenyl)silyl]-5-methyloxolan-2-one
SMILESCCCC[C@H]1C(=O)O[C@@H](C)[C@@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H26O2Si/c1-5-6-12-15-16(13(2)19-17(15)18)20(3,4)14-10-8-7-9-11-14/h7-11,13,15-16H,5-6,12H2,1-4H3/t13-,15+,16-/m0/s1
InChIKeyKPGAKVLDQFRUNF-IMJJTQAJSA-N
XLogP3.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3S,4R,5S)-3-butyl-4-[dimethyl(phenyl)silyl]-5-methyloxolan-2-one?
The IUPAC name of (3S,4R,5S)-3-butyl-4-[dimethyl(phenyl)silyl]-5-methyloxolan-2-one (CID 10880810) is (3S,4R,5S)-3-butyl-4-[dimethyl(phenyl)silyl]-5-methyloxolan-2-one.
What is the SMILES notation for (3S,4R,5S)-3-butyl-4-[dimethyl(phenyl)silyl]-5-methyloxolan-2-one?
The canonical SMILES for (3S,4R,5S)-3-butyl-4-[dimethyl(phenyl)silyl]-5-methyloxolan-2-one is CCCC[C@H]1C(=O)O[C@@H](C)[C@@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of (3S,4R,5S)-3-butyl-4-[dimethyl(phenyl)silyl]-5-methyloxolan-2-one?
The InChIKey is KPGAKVLDQFRUNF-IMJJTQAJSA-N. The full InChI is InChI=1S/C17H26O2Si/c1-5-6-12-15-16(13(2)19-17(15)18)20(3,4)14-10-8-7-9-11-14/h7-11,13,15-16H,5-6,12H2,1-4H3/t13-,15+,16-/m0/s1.
What are the key properties of (3S,4R,5S)-3-butyl-4-[dimethyl(phenyl)silyl]-5-methyloxolan-2-one?
(3S,4R,5S)-3-butyl-4-[dimethyl(phenyl)silyl]-5-methyloxolan-2-one has a molecular weight of 290.48 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-3-butyl-4-[dimethyl(phenyl)silyl]-5-methyloxolan-2-one is sourced from PubChem (CID 10880810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).