4-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one

C16H30O5Si — CID 10735209

IUPAC4-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
SMILESCC1(C)O[C@H](C2COC(=O)C2)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H30O5Si/c1-15(2,3)22(6,7)19-10-12-14(21-16(4,5)20-12)11-8-13(17)18-9-11/h11-12,14H,8-10H2,1-7H3/t11?,12-,14-/m1/s1
InChIKeyMNOBKZRGGIPVMX-JWCMVYSZSA-N
MW330.50 g/mol
LogP3.09
Rot. Bonds4

About 4-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one

4-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one (PubChem CID 10735209) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is 4-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one.

Molecular Properties

Compound Name4-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
PubChem CID10735209
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name4-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
SMILESCC1(C)O[C@H](C2COC(=O)C2)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H30O5Si/c1-15(2,3)22(6,7)19-10-12-14(21-16(4,5)20-12)11-8-13(17)18-9-11/h11-12,14H,8-10H2,1-7H3/t11?,12-,14-/m1/s1
InChIKeyMNOBKZRGGIPVMX-JWCMVYSZSA-N
XLogP3.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (4R,5S)-5-[(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-triethylsilyloxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11539292
3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 102368860
methyl (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentanoate
CID 134971262
(5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one
CID 135023102
ethyl 3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 135028246
(2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one
CID 155934217
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 10783807
(4S,5S)-5-(tert-Butyldimethylsilanyloxymethyl)-4-[1,3]dioxolan-2-yldihydrofuran-2-one
CID 11335664
5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)oxolan-2-one
CID 12927290
(3S,4R)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2-methoxyethoxymethoxy)oxolan-2-one
CID 18657608
ethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 58858620
ethyl 2-[(2S,3S,4R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyloxolan-3-yl]acetate
CID 59906174

Frequently Asked Questions

What is the IUPAC name of 4-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one?
The IUPAC name of 4-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one (CID 10735209) is 4-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one.
What is the SMILES notation for 4-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one?
The canonical SMILES for 4-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one is CC1(C)O[C@H](C2COC(=O)C2)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 4-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one?
The InChIKey is MNOBKZRGGIPVMX-JWCMVYSZSA-N. The full InChI is InChI=1S/C16H30O5Si/c1-15(2,3)22(6,7)19-10-12-14(21-16(4,5)20-12)11-8-13(17)18-9-11/h11-12,14H,8-10H2,1-7H3/t11?,12-,14-/m1/s1.
What are the key properties of 4-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one?
4-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one has a molecular weight of 330.50 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one is sourced from PubChem (CID 10735209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).