(3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one

C13H24O3Si — CID 10825002

IUPAC(3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCOC1=O
InChIInChI=1S/C13H24O3Si/c1-7-11(10-8-9-15-12(10)14)16-17(5,6)13(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11+/m1/s1
InChIKeyQJYOLDMFRHNJSF-MNOVXSKESA-N
MW256.42 g/mol
LogP3.13
Rot. Bonds4

About (3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one

(3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one (PubChem CID 10825002) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is (3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one
PubChem CID10825002
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name(3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCOC1=O
InChIInChI=1S/C13H24O3Si/c1-7-11(10-8-9-15-12(10)14)16-17(5,6)13(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11+/m1/s1
InChIKeyQJYOLDMFRHNJSF-MNOVXSKESA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.13
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

(3s,4r)-3-Allyl-4-(tert-butyldimethylsilyloxy) tetrahydrofuran-2-one
CID 11161185
3-(1-Ethoxyprop-2-enyl)oxolan-2-one
CID 142674285
(3S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]oxolan-2-one
CID 173659984
Ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpent-4-enoate
CID 10827970
Dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate
CID 11573263
3-[(E)-3-trimethylsilylprop-2-enyl]oxolan-2-one
CID 11735768
ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-enoate
CID 11808289
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 46918429
prop-2-enyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 101272505
dimethyl 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate
CID 101549501
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 101611850
methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 101611851

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one?
The IUPAC name of (3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one (CID 10825002) is (3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one?
The canonical SMILES for (3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one is C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCOC1=O.
What is the InChIKey of (3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one?
The InChIKey is QJYOLDMFRHNJSF-MNOVXSKESA-N. The full InChI is InChI=1S/C13H24O3Si/c1-7-11(10-8-9-15-12(10)14)16-17(5,6)13(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11+/m1/s1.
What are the key properties of (3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one?
(3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one has a molecular weight of 256.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one is sourced from PubChem (CID 10825002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).