methyl (3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-methyl-2-methylidenehexanoate

C15H30O4Si — CID 15316240

IUPACmethyl (3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-methyl-2-methylidenehexanoate
SMILESC=C(C(=O)OC)[C@H](C)[C@@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-10(11(2)14(17)18-7)13(16)12(3)19-20(8,9)15(4,5)6/h10,12-13,16H,2H2,1,3-9H3/t10-,12+,13+/m0/s1
InChIKeyRAZMBHPFUGVUOF-CYZMBNFOSA-N
MW302.49 g/mol
LogP3.12
Rot. Bonds6

About methyl (3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-methyl-2-methylidenehexanoate

methyl (3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-methyl-2-methylidenehexanoate (PubChem CID 15316240) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is methyl (3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-methyl-2-methylidenehexanoate.

Molecular Properties

Compound Namemethyl (3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-methyl-2-methylidenehexanoate
PubChem CID15316240
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Namemethyl (3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-methyl-2-methylidenehexanoate
SMILESC=C(C(=O)OC)[C@H](C)[C@@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-10(11(2)14(17)18-7)13(16)12(3)19-20(8,9)15(4,5)6/h10,12-13,16H,2H2,1,3-9H3/t10-,12+,13+/m0/s1
InChIKeyRAZMBHPFUGVUOF-CYZMBNFOSA-N
XLogP3.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-methyl-2-methylidenehexanoate
CID 10542432
methyl (4R)-4-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-4-hydroxy-2-methylidenebutanoate
CID 134945877
(4S)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-3-methylideneoxolan-2-one
CID 162400114
Propyl 5,6-dihydroxy-2-methylidene-3-tris(trimethylsilyloxy)silylhexanoate
CID 87490540
2-Methylprop-2-enoyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)-3-(oxiran-2-ylmethyl)pentanoate
CID 91468757
Propyl 3-bis(trimethylsilyloxy)silyl-5,6-dihydroxy-3-methyl-2-methylidenehexanoate
CID 123624516
Methyl (5R)-5-O-[tert-butyl(dimethyl)silyl]-5-C-cyclohexyl-2,3-dideoxy-3-methyl-2-methylene-D-threo-pentonate
CID 10571228
methyl (3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate
CID 15316242
methyl (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-methyl-2-methylidenehexanoate
CID 102330142
methyl (3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-methyl-2-methylidenehexanoate
CID 102330143
methyl (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate
CID 102330146
methyl (3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate
CID 102330147

Frequently Asked Questions

What is the IUPAC name of methyl (3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-methyl-2-methylidenehexanoate?
The IUPAC name of methyl (3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-methyl-2-methylidenehexanoate (CID 15316240) is methyl (3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-methyl-2-methylidenehexanoate.
What is the SMILES notation for methyl (3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-methyl-2-methylidenehexanoate?
The canonical SMILES for methyl (3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-methyl-2-methylidenehexanoate is C=C(C(=O)OC)[C@H](C)[C@@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-methyl-2-methylidenehexanoate?
The InChIKey is RAZMBHPFUGVUOF-CYZMBNFOSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-10(11(2)14(17)18-7)13(16)12(3)19-20(8,9)15(4,5)6/h10,12-13,16H,2H2,1,3-9H3/t10-,12+,13+/m0/s1.
What are the key properties of methyl (3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-methyl-2-methylidenehexanoate?
methyl (3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-methyl-2-methylidenehexanoate has a molecular weight of 302.49 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-methyl-2-methylidenehexanoate is sourced from PubChem (CID 15316240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).