methyl (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-2-enoate

C15H30O4Si — CID 46218247

IUPACmethyl (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-2-enoate
SMILESCOC(=O)/C=C/[C@H](O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-15(2,3)20(5,6)19-12-8-7-9-13(16)10-11-14(17)18-4/h10-11,13,16H,7-9,12H2,1-6H3/b11-10+/t13-/m1/s1
InChIKeyVIWIBYPBLUVPPK-OCHBPSSRSA-N
MW302.49 g/mol
LogP3.27
Rot. Bonds8

About methyl (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-2-enoate

methyl (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-2-enoate (PubChem CID 46218247) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is methyl (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-2-enoate.

Molecular Properties

Compound Namemethyl (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-2-enoate
PubChem CID46218247
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Namemethyl (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-2-enoate
SMILESCOC(=O)/C=C/[C@H](O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-15(2,3)20(5,6)19-12-8-7-9-13(16)10-11-14(17)18-4/h10-11,13,16H,7-9,12H2,1-6H3/b11-10+/t13-/m1/s1
InChIKeyVIWIBYPBLUVPPK-OCHBPSSRSA-N
XLogP3.27
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 ≤ 53.27
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Chloriolide
CID 11608282
ethyl (E,4R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyhept-2-enoate
CID 11290125
ethyl (E,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-2-enoate
CID 11358559
[(1R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclohept-2-en-1-yl] acetate
CID 23659008
ethyl (E,5S,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyoct-2-enoate
CID 24756275
(E,5R)-5-[(E,5S,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyoct-2-enoyl]oxyhex-2-enoic acid
CID 24756330
ethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxyhept-2-enoate
CID 24873841
methyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate
CID 24949356
[(E,2R)-6-ethoxy-6-oxohex-4-en-2-yl] (E,5S,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyoct-2-enoate
CID 134830610
ethyl (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynona-2,8-dienoate
CID 135015588
(5S,8R,12S)-5,8-dihydroxy-12-methyl-1-oxacyclododeca-3,6-dien-2-one
CID 172015069
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoic acid
CID 25023657

Frequently Asked Questions

What is the IUPAC name of methyl (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-2-enoate?
The IUPAC name of methyl (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-2-enoate (CID 46218247) is methyl (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-2-enoate.
What is the SMILES notation for methyl (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-2-enoate?
The canonical SMILES for methyl (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-2-enoate is COC(=O)/C=C/[C@H](O)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-2-enoate?
The InChIKey is VIWIBYPBLUVPPK-OCHBPSSRSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-15(2,3)20(5,6)19-12-8-7-9-13(16)10-11-14(17)18-4/h10-11,13,16H,7-9,12H2,1-6H3/b11-10+/t13-/m1/s1.
What are the key properties of methyl (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-2-enoate?
methyl (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-2-enoate has a molecular weight of 302.49 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoct-2-enoate is sourced from PubChem (CID 46218247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).