ethyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]butanoate

C18H36O5Si — CID 11428385

IUPACethyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]butanoate
SMILESCCOC(=O)C[C@@H](C)[C@H]1OC(OC)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O5Si/c1-9-21-15(19)12-13(2)17-14(10-11-16(20-6)22-17)23-24(7,8)18(3,4)5/h13-14,16-17H,9-12H2,1-8H3/t13-,14+,16?,17-/m1/s1
InChIKeyVATXCVKNQQLSEK-BBJBPXSTSA-N
MW360.57 g/mol
LogP4.12
Rot. Bonds7

About ethyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]butanoate

ethyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]butanoate (PubChem CID 11428385) has the molecular formula C18H36O5Si and a molecular weight of 360.57 g/mol. Its IUPAC name is ethyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]butanoate.

Molecular Properties

Compound Nameethyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]butanoate
PubChem CID11428385
Molecular FormulaC18H36O5Si
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Nameethyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]butanoate
SMILESCCOC(=O)C[C@@H](C)[C@H]1OC(OC)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O5Si/c1-9-21-15(19)12-13(2)17-14(10-11-16(20-6)22-17)23-24(7,8)18(3,4)5/h13-14,16-17H,9-12H2,1-8H3/t13-,14+,16?,17-/m1/s1
InChIKeyVATXCVKNQQLSEK-BBJBPXSTSA-N
XLogP4.12
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 54.12
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

ethyl (5R)-5-[(1R,3aR,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexanoate
CID 171618428
ethyl 3-cyclopropylbutanoate
CID 47078610
methyl 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate
CID 141177675
ethyl 4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]butanoate
CID 101036975
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 10828109
ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate
CID 24764392
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 101084181
ethyl (3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,6-dimethylheptanoate
CID 11174970
ethyl (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 11587717
ethyl 2-[(1R,4S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dioxabicyclo[4.1.0]heptan-4-yl]acetate
CID 102283467
ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 141450623
ethyl (4R)-4-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentanoate
CID 11153039

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]butanoate?
The IUPAC name of ethyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]butanoate (CID 11428385) is ethyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]butanoate.
What is the SMILES notation for ethyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]butanoate?
The canonical SMILES for ethyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]butanoate is CCOC(=O)C[C@@H](C)[C@H]1OC(OC)CC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]butanoate?
The InChIKey is VATXCVKNQQLSEK-BBJBPXSTSA-N. The full InChI is InChI=1S/C18H36O5Si/c1-9-21-15(19)12-13(2)17-14(10-11-16(20-6)22-17)23-24(7,8)18(3,4)5/h13-14,16-17H,9-12H2,1-8H3/t13-,14+,16?,17-/m1/s1.
What are the key properties of ethyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]butanoate?
ethyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]butanoate has a molecular weight of 360.57 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxyoxan-2-yl]butanoate is sourced from PubChem (CID 11428385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).