(4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxan-2-yl)pentan-3-one

C15H30O4Si — CID 11483490

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxan-2-yl)pentan-3-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)CCC1OCCCO1
InChIInChI=1S/C15H30O4Si/c1-12(19-20(5,6)15(2,3)4)13(16)8-9-14-17-10-7-11-18-14/h12,14H,7-11H2,1-6H3/t12-/m1/s1
InChIKeyJKKZGUWKGRZFHY-GFCCVEGCSA-N
MW302.49 g/mol
LogP3.51
Rot. Bonds6

About (4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxan-2-yl)pentan-3-one

(4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxan-2-yl)pentan-3-one (PubChem CID 11483490) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxan-2-yl)pentan-3-one.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxan-2-yl)pentan-3-one
PubChem CID11483490
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxan-2-yl)pentan-3-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)CCC1OCCCO1
InChIInChI=1S/C15H30O4Si/c1-12(19-20(5,6)15(2,3)4)13(16)8-9-14-17-10-7-11-18-14/h12,14H,7-11H2,1-6H3/t12-/m1/s1
InChIKeyJKKZGUWKGRZFHY-GFCCVEGCSA-N
XLogP3.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(1,3-dioxolan-2-yl)ethyl]-3-hydroxypentanoate
CID 102089770
(3S)-1,1-dibromo-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one
CID 10970420
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-one
CID 101209372
tert-butyl-[(E,2S)-9-(1,3-dioxolan-2-yl)non-6-en-2-yl]oxy-dimethylsilane
CID 134983641
4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one
CID 553195
5-(1,3-dioxan-2-yl)pentan-2-one
CID 174893387
ethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]propanoyloxy]propanoate
CID 10177567
(2S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxodecanoic acid
CID 11633393
2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one
CID 173049340
(2S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methyloctan-3-one
CID 102064835
tert-butyl-dimethyl-(3-methylbut-3-en-2-yloxy)silane
CID 15935934

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxan-2-yl)pentan-3-one?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxan-2-yl)pentan-3-one (CID 11483490) is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxan-2-yl)pentan-3-one.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxan-2-yl)pentan-3-one?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxan-2-yl)pentan-3-one is C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)CCC1OCCCO1.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxan-2-yl)pentan-3-one?
The InChIKey is JKKZGUWKGRZFHY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-12(19-20(5,6)15(2,3)4)13(16)8-9-14-17-10-7-11-18-14/h12,14H,7-11H2,1-6H3/t12-/m1/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxan-2-yl)pentan-3-one?
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxan-2-yl)pentan-3-one has a molecular weight of 302.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxan-2-yl)pentan-3-one is sourced from PubChem (CID 11483490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).