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

C15H30O4Si — CID 10828234

IUPAC4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one
SMILESCC1(C)OCC(=O)C(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
InChIKeySMAQLAIRDDFESC-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.51
Rot. Bonds5

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

4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one (PubChem CID 10828234) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one.

Molecular Properties

Compound Name4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one
PubChem CID10828234
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one
SMILESCC1(C)OCC(=O)C(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
InChIKeySMAQLAIRDDFESC-UHFFFAOYSA-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

tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane
CID 11360349
4-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-one
CID 135039821
tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 10105989
(3R,4R)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one
CID 123629490
(E,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1,3-dioxan-5-imine
CID 10811019
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
CID 85273901
(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine
CID 16655821
2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10928807
trans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one
CID 10870267
(3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one
CID 131746606
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202

Frequently Asked Questions

What is the IUPAC name of 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one?
The IUPAC name of 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one (CID 10828234) is 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one.
What is the SMILES notation for 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one?
The canonical SMILES for 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one is CC1(C)OCC(=O)C(CCCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one?
The InChIKey is SMAQLAIRDDFESC-UHFFFAOYSA-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.
What are the key properties of 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one?
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 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one is sourced from PubChem (CID 10828234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).