6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2-dimethyl-1,3-dioxin-4-one

C16H30O4Si — CID 177415071

IUPAC6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C16H30O4Si/c1-11(12(2)20-21(8,9)15(3,4)5)13-10-14(17)19-16(6,7)18-13/h10-12H,1-9H3/t11-,12-/m0/s1
InChIKeyBGBJRCKUCXKMFF-RYUDHWBXSA-N
MW314.50 g/mol
LogP4.23
Rot. Bonds4

About 6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2-dimethyl-1,3-dioxin-4-one

6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 177415071) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is 6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID177415071
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C16H30O4Si/c1-11(12(2)20-21(8,9)15(3,4)5)13-10-14(17)19-16(6,7)18-13/h10-12H,1-9H3/t11-,12-/m0/s1
InChIKeyBGBJRCKUCXKMFF-RYUDHWBXSA-N
XLogP4.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (E,4R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4-methylhex-2-enoate
CID 24749922
6-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 101380245
6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134931361
6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134941017
6-[(1E,3Z,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 135011916
methyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2,5-dihydropyran-6-yl]prop-2-enoate
CID 139255323
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,3-dihydropyran-6-one
CID 162400186
(2S,3S)-4-methoxy-2-methyl-3-triethylsilyloxy-2,3-dihydropyran-6-one
CID 44208300
6-Pent-4-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one
CID 15551236
4-Acetoxy-6-t-butyldimethylsilyloxymethyl-5,6-dihydropyran-2-one
CID 19389470
[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] butanoate
CID 19389476
6-[8-[Tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one
CID 123484490

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2-dimethyl-1,3-dioxin-4-one (CID 177415071) is 6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2-dimethyl-1,3-dioxin-4-one is C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C1=CC(=O)OC(C)(C)O1.
What is the InChIKey of 6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is BGBJRCKUCXKMFF-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-11(12(2)20-21(8,9)15(3,4)5)13-10-14(17)19-16(6,7)18-13/h10-12H,1-9H3/t11-,12-/m0/s1.
What are the key properties of 6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 314.50 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 177415071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).