methyl (2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-hydroxyhexanoate

C15H30O4Si — CID 42636716

IUPACmethyl (2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-hydroxyhexanoate
SMILESC=C[C@@H](C(=O)OC)[C@@H](O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-8-12(14(17)18-5)13(16)10-9-11-19-20(6,7)15(2,3)4/h8,12-13,16H,1,9-11H2,2-7H3/t12-,13+/m1/s1
InChIKeyVBDZOWDTLZCBHC-OLZOCXBDSA-N
MW302.49 g/mol
LogP3.12
Rot. Bonds8

About methyl (2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-hydroxyhexanoate

methyl (2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-hydroxyhexanoate (PubChem CID 42636716) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is methyl (2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-hydroxyhexanoate.

Molecular Properties

Compound Namemethyl (2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-hydroxyhexanoate
PubChem CID42636716
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Namemethyl (2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-hydroxyhexanoate
SMILESC=C[C@@H](C(=O)OC)[C@@H](O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-8-12(14(17)18-5)13(16)10-9-11-19-20(6,7)15(2,3)4/h8,12-13,16H,1,9-11H2,2-7H3/t12-,13+/m1/s1
InChIKeyVBDZOWDTLZCBHC-OLZOCXBDSA-N
XLogP3.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-hydroxyhexanoate?
The IUPAC name of methyl (2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-hydroxyhexanoate (CID 42636716) is methyl (2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-hydroxyhexanoate.
What is the SMILES notation for methyl (2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-hydroxyhexanoate?
The canonical SMILES for methyl (2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-hydroxyhexanoate is C=C[C@@H](C(=O)OC)[C@@H](O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-hydroxyhexanoate?
The InChIKey is VBDZOWDTLZCBHC-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-8-12(14(17)18-5)13(16)10-9-11-19-20(6,7)15(2,3)4/h8,12-13,16H,1,9-11H2,2-7H3/t12-,13+/m1/s1.
What are the key properties of methyl (2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-hydroxyhexanoate?
methyl (2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-hydroxyhexanoate has a molecular weight of 302.49 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-hydroxyhexanoate is sourced from PubChem (CID 42636716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).