(3S,4S,5S)-3-butyl-5-methyl-4-tri(propan-2-yl)silyloxyoxolan-2-one

C18H36O3Si — CID 11255940

IUPAC(3S,4S,5S)-3-butyl-5-methyl-4-tri(propan-2-yl)silyloxyoxolan-2-one
SMILESCCCC[C@@H]1C(=O)O[C@@H](C)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36O3Si/c1-9-10-11-16-17(15(8)20-18(16)19)21-22(12(2)3,13(4)5)14(6)7/h12-17H,9-11H2,1-8H3/t15-,16-,17+/m0/s1
InChIKeyVVDYFETWUJGRMZ-YESZJQIVSA-N
MW328.57 g/mol
LogP5.30
Rot. Bonds8

About (3S,4S,5S)-3-butyl-5-methyl-4-tri(propan-2-yl)silyloxyoxolan-2-one

(3S,4S,5S)-3-butyl-5-methyl-4-tri(propan-2-yl)silyloxyoxolan-2-one (PubChem CID 11255940) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is (3S,4S,5S)-3-butyl-5-methyl-4-tri(propan-2-yl)silyloxyoxolan-2-one.

Molecular Properties

Compound Name(3S,4S,5S)-3-butyl-5-methyl-4-tri(propan-2-yl)silyloxyoxolan-2-one
PubChem CID11255940
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name(3S,4S,5S)-3-butyl-5-methyl-4-tri(propan-2-yl)silyloxyoxolan-2-one
SMILESCCCC[C@@H]1C(=O)O[C@@H](C)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36O3Si/c1-9-10-11-16-17(15(8)20-18(16)19)21-22(12(2)3,13(4)5)14(6)7/h12-17H,9-11H2,1-8H3/t15-,16-,17+/m0/s1
InChIKeyVVDYFETWUJGRMZ-YESZJQIVSA-N
XLogP5.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.30
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 (3S,4S,5S)-3-butyl-5-methyl-4-tri(propan-2-yl)silyloxyoxolan-2-one?
The IUPAC name of (3S,4S,5S)-3-butyl-5-methyl-4-tri(propan-2-yl)silyloxyoxolan-2-one (CID 11255940) is (3S,4S,5S)-3-butyl-5-methyl-4-tri(propan-2-yl)silyloxyoxolan-2-one.
What is the SMILES notation for (3S,4S,5S)-3-butyl-5-methyl-4-tri(propan-2-yl)silyloxyoxolan-2-one?
The canonical SMILES for (3S,4S,5S)-3-butyl-5-methyl-4-tri(propan-2-yl)silyloxyoxolan-2-one is CCCC[C@@H]1C(=O)O[C@@H](C)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3S,4S,5S)-3-butyl-5-methyl-4-tri(propan-2-yl)silyloxyoxolan-2-one?
The InChIKey is VVDYFETWUJGRMZ-YESZJQIVSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-9-10-11-16-17(15(8)20-18(16)19)21-22(12(2)3,13(4)5)14(6)7/h12-17H,9-11H2,1-8H3/t15-,16-,17+/m0/s1.
What are the key properties of (3S,4S,5S)-3-butyl-5-methyl-4-tri(propan-2-yl)silyloxyoxolan-2-one?
(3S,4S,5S)-3-butyl-5-methyl-4-tri(propan-2-yl)silyloxyoxolan-2-one has a molecular weight of 328.57 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-3-butyl-5-methyl-4-tri(propan-2-yl)silyloxyoxolan-2-one is sourced from PubChem (CID 11255940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).