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

C15H28O3Si — CID 146018117

IUPAC(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one
SMILESC=C(C)[C@@H]1C(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C15H28O3Si/c1-10(2)13-11(3)12(18-14(13)16)9-17-19(7,8)15(4,5)6/h11-13H,1,9H2,2-8H3/t11-,12-,13+/m1/s1
InChIKeyNVLKXHUUVAYQDI-UPJWGTAASA-N
MW284.47 g/mol
LogP3.76
Rot. Bonds4

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

(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one (PubChem CID 146018117) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one.

Molecular Properties

Compound Name(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one
PubChem CID146018117
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one
SMILESC=C(C)[C@@H]1C(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C15H28O3Si/c1-10(2)13-11(3)12(18-14(13)16)9-17-19(7,8)15(4,5)6/h11-13H,1,9H2,2-8H3/t11-,12-,13+/m1/s1
InChIKeyNVLKXHUUVAYQDI-UPJWGTAASA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.76
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,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-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

Related Compounds

(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-3-prop-1-en-2-yloxolan-2-one
CID 146018116
(3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one
CID 162404388
(4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one
CID 10592269
(3S,4R,5R)-3-methyl-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one
CID 10759622
3-[3-[Ethoxy(dimethyl)silyl]propyl]-5-methylideneoxolan-2-one
CID 157360801
(3S,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methyloxolan-2-one
CID 10107970
(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyloxolan-2-one
CID 10332655
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyloxolan-2-one
CID 10422563
(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-methyloxolan-2-one
CID 10445854
(3R,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-chloroethyl)-4-ethenyloxolan-2-one
CID 10519641
(3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-propan-2-yloxolan-2-one
CID 10542120
(3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-chloroethyl)-4-ethenyloxolan-2-one
CID 10543622

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one?
The IUPAC name of (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one (CID 146018117) is (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one.
What is the SMILES notation for (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one?
The canonical SMILES for (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one is C=C(C)[C@@H]1C(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C.
What is the InChIKey of (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one?
The InChIKey is NVLKXHUUVAYQDI-UPJWGTAASA-N. The full InChI is InChI=1S/C15H28O3Si/c1-10(2)13-11(3)12(18-14(13)16)9-17-19(7,8)15(4,5)6/h11-13H,1,9H2,2-8H3/t11-,12-,13+/m1/s1.
What are the key properties of (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one?
(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one has a molecular weight of 284.47 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one is sourced from PubChem (CID 146018117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).