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

C15H28O3Si — CID 15396605

IUPAC(3R,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-2-enyloxolan-2-one
SMILESC=CC[C@H]1C(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C15H28O3Si/c1-8-9-12-11(2)13(18-14(12)16)10-17-19(6,7)15(3,4)5/h8,11-13H,1,9-10H2,2-7H3/t11-,12-,13-/m1/s1
InChIKeyJBVUUQPCKQZGAA-JHJVBQTASA-N
MW284.47 g/mol
LogP3.76
Rot. Bonds5

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

(3R,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-2-enyloxolan-2-one (PubChem CID 15396605) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is (3R,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-2-enyloxolan-2-one.

Molecular Properties

Compound Name(3R,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-2-enyloxolan-2-one
PubChem CID15396605
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name(3R,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-2-enyloxolan-2-one
SMILESC=CC[C@H]1C(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C15H28O3Si/c1-8-9-12-11(2)13(18-14(12)16)10-17-19(6,7)15(3,4)5/h8,11-13H,1,9-10H2,2-7H3/t11-,12-,13-/m1/s1
InChIKeyJBVUUQPCKQZGAA-JHJVBQTASA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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'}

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Related Compounds

2-Allyl-4-propoxymethylbutanolide
CID 129742031
2-Allyl-4-amyloxymethylbutanolide
CID 129742349
5-[(Propan-2-yloxy)methyl]-3-(prop-2-en-1-yl)-oxolan-2-one
CID 129759036
(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-3-prop-1-en-2-yloxolan-2-one
CID 146018116
(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-1-en-2-yloxolan-2-one
CID 146018117
(5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one
CID 154709334
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
(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyloxolan-2-one
CID 10423285
(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-methyloxolan-2-one
CID 10445854

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-2-enyloxolan-2-one?
The IUPAC name of (3R,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-2-enyloxolan-2-one (CID 15396605) is (3R,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-2-enyloxolan-2-one.
What is the SMILES notation for (3R,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-2-enyloxolan-2-one?
The canonical SMILES for (3R,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-2-enyloxolan-2-one is C=CC[C@H]1C(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1C.
What is the InChIKey of (3R,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-2-enyloxolan-2-one?
The InChIKey is JBVUUQPCKQZGAA-JHJVBQTASA-N. The full InChI is InChI=1S/C15H28O3Si/c1-8-9-12-11(2)13(18-14(12)16)10-17-19(6,7)15(3,4)5/h8,11-13H,1,9-10H2,2-7H3/t11-,12-,13-/m1/s1.
What are the key properties of (3R,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-2-enyloxolan-2-one?
(3R,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-2-enyloxolan-2-one has a molecular weight of 284.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-2-enyloxolan-2-one is sourced from PubChem (CID 15396605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).