(3S,4R,5S)-5-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one

C20H40O4Si2 — CID 11143852

IUPAC(3S,4R,5S)-5-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
SMILESC=CCC[C@@H]1OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O4Si2/c1-12-13-14-15-16(23-25(8,9)19(2,3)4)17(18(21)22-15)24-26(10,11)20(5,6)7/h12,15-17H,1,13-14H2,2-11H3/t15-,16+,17-/m0/s1
InChIKeyAOGSJZGGHIEADA-BBWFWOEESA-N
MW400.71 g/mol
LogP5.66
Rot. Bonds7

About (3S,4R,5S)-5-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one

(3S,4R,5S)-5-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one (PubChem CID 11143852) has the molecular formula C20H40O4Si2 and a molecular weight of 400.71 g/mol. Its IUPAC name is (3S,4R,5S)-5-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5S)-5-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
PubChem CID11143852
Molecular FormulaC20H40O4Si2
Molecular Weight400.71 g/mol
Exact Mass400.25
IUPAC Name(3S,4R,5S)-5-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
SMILESC=CCC[C@@H]1OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O4Si2/c1-12-13-14-15-16(23-25(8,9)19(2,3)4)17(18(21)22-15)24-26(10,11)20(5,6)7/h12,15-17H,1,13-14H2,2-11H3/t15-,16+,17-/m0/s1
InChIKeyAOGSJZGGHIEADA-BBWFWOEESA-N
XLogP5.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.71
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S,4R,5S)-5-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one with MolForge

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Related Compounds

methyl (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 102587269
methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 10883940
[(2S)-pent-4-en-2-yl] (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 11453876
[(2R)-pent-4-en-2-yl] (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 11048757
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-one
CID 11087335
methyl (4S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11256445
1-[(4S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-1-one
CID 11611003
tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoct-7-enoate
CID 11645898
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-hex-5-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetate
CID 71816825

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-5-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one?
The IUPAC name of (3S,4R,5S)-5-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one (CID 11143852) is (3S,4R,5S)-5-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one.
What is the SMILES notation for (3S,4R,5S)-5-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one?
The canonical SMILES for (3S,4R,5S)-5-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one is C=CCC[C@@H]1OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R,5S)-5-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one?
The InChIKey is AOGSJZGGHIEADA-BBWFWOEESA-N. The full InChI is InChI=1S/C20H40O4Si2/c1-12-13-14-15-16(23-25(8,9)19(2,3)4)17(18(21)22-15)24-26(10,11)20(5,6)7/h12,15-17H,1,13-14H2,2-11H3/t15-,16+,17-/m0/s1.
What are the key properties of (3S,4R,5S)-5-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one?
(3S,4R,5S)-5-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one has a molecular weight of 400.71 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-5-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one is sourced from PubChem (CID 11143852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).