(5S)-3-prop-2-enyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one

C17H32O3Si — CID 10828947

IUPAC(5S)-3-prop-2-enyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one
SMILESC=CCC1C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC1=O
InChIInChI=1S/C17H32O3Si/c1-8-9-15-10-16(20-17(15)18)11-19-21(12(2)3,13(4)5)14(6)7/h8,12-16H,1,9-11H2,2-7H3/t15?,16-/m0/s1
InChIKeyWCZOAYQWTVNEHV-LYKKTTPLSA-N
MW312.53 g/mol
LogP4.69
Rot. Bonds8

About (5S)-3-prop-2-enyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one

(5S)-3-prop-2-enyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one (PubChem CID 10828947) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is (5S)-3-prop-2-enyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-3-prop-2-enyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one
PubChem CID10828947
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name(5S)-3-prop-2-enyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one
SMILESC=CCC1C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC1=O
InChIInChI=1S/C17H32O3Si/c1-8-9-15-10-16(20-17(15)18)11-19-21(12(2)3,13(4)5)14(6)7/h8,12-16H,1,9-11H2,2-7H3/t15?,16-/m0/s1
InChIKeyWCZOAYQWTVNEHV-LYKKTTPLSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.69
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

ethyl (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-enoate
CID 12170568
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
(4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one
CID 10592269
(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
(3S,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-3-propan-2-yloxolan-2-one
CID 10542120

Frequently Asked Questions

What is the IUPAC name of (5S)-3-prop-2-enyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one?
The IUPAC name of (5S)-3-prop-2-enyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one (CID 10828947) is (5S)-3-prop-2-enyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one.
What is the SMILES notation for (5S)-3-prop-2-enyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one?
The canonical SMILES for (5S)-3-prop-2-enyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one is C=CCC1C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC1=O.
What is the InChIKey of (5S)-3-prop-2-enyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one?
The InChIKey is WCZOAYQWTVNEHV-LYKKTTPLSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-8-9-15-10-16(20-17(15)18)11-19-21(12(2)3,13(4)5)14(6)7/h8,12-16H,1,9-11H2,2-7H3/t15?,16-/m0/s1.
What are the key properties of (5S)-3-prop-2-enyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one?
(5S)-3-prop-2-enyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one has a molecular weight of 312.53 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-prop-2-enyl-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one is sourced from PubChem (CID 10828947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).