(3R,4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one

C16H30O3Si — CID 11808682

IUPAC(3R,4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one
SMILESC=C(C)[C@@H]1C(=O)O[C@@H]([C@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C16H30O3Si/c1-10(2)13-11(3)14(18-15(13)17)12(4)19-20(8,9)16(5,6)7/h11-14H,1H2,2-9H3/t11-,12-,13-,14+/m0/s1
InChIKeySXHWWEHFVNPNOG-XDQVBPFNSA-N
MW298.50 g/mol
LogP4.15
Rot. Bonds4

About (3R,4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one

(3R,4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one (PubChem CID 11808682) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (3R,4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one.

Molecular Properties

Compound Name(3R,4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one
PubChem CID11808682
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name(3R,4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one
SMILESC=C(C)[C@@H]1C(=O)O[C@@H]([C@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C16H30O3Si/c1-10(2)13-11(3)14(18-15(13)17)12(4)19-20(8,9)16(5,6)7/h11-14H,1H2,2-9H3/t11-,12-,13-,14+/m0/s1
InChIKeySXHWWEHFVNPNOG-XDQVBPFNSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one?
The IUPAC name of (3R,4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one (CID 11808682) is (3R,4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one.
What is the SMILES notation for (3R,4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one?
The canonical SMILES for (3R,4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one is C=C(C)[C@@H]1C(=O)O[C@@H]([C@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1C.
What is the InChIKey of (3R,4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one?
The InChIKey is SXHWWEHFVNPNOG-XDQVBPFNSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-10(2)13-11(3)14(18-15(13)17)12(4)19-20(8,9)16(5,6)7/h11-14H,1H2,2-9H3/t11-,12-,13-,14+/m0/s1.
What are the key properties of (3R,4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one?
(3R,4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one has a molecular weight of 298.50 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one is sourced from PubChem (CID 11808682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).