(4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one

C15H30O4Si — CID 15350448

IUPAC(4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one
SMILESCC1(C)OCC(=O)[C@H](CCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H30O4Si/c1-14(2,3)20(6,7)18-10-8-9-13-12(16)11-17-15(4,5)19-13/h13H,8-11H2,1-7H3/t13-/m0/s1
InChIKeySMAQLAIRDDFESC-ZDUSSCGKSA-N
MW302.49 g/mol
LogP3.51
Rot. Bonds5

About (4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one

(4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one (PubChem CID 15350448) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is (4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one.

Molecular Properties

Compound Name(4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one
PubChem CID15350448
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name(4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one
SMILESCC1(C)OCC(=O)[C@H](CCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H30O4Si/c1-14(2,3)20(6,7)18-10-8-9-13-12(16)11-17-15(4,5)19-13/h13H,8-11H2,1-7H3/t13-/m0/s1
InChIKeySMAQLAIRDDFESC-ZDUSSCGKSA-N
XLogP3.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 134854742
6-[Tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)hexan-2-one
CID 146166966
(4R,6R)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,4,6-tetramethyl-1,3-dioxan-5-one
CID 21609042
1-[Tert-butyl(dimethyl)silyl]oxy-6-(2-methoxypropan-2-yloxy)hexan-2-one
CID 10615541
(4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 10755820
4-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 10828234
(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 10850923
1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 16756248
4-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 21590985

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one?
The IUPAC name of (4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one (CID 15350448) is (4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one.
What is the SMILES notation for (4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one?
The canonical SMILES for (4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one is CC1(C)OCC(=O)[C@H](CCCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one?
The InChIKey is SMAQLAIRDDFESC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-14(2,3)20(6,7)18-10-8-9-13-12(16)11-17-15(4,5)19-13/h13H,8-11H2,1-7H3/t13-/m0/s1.
What are the key properties of (4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one?
(4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one has a molecular weight of 302.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one is sourced from PubChem (CID 15350448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).