methyl (E,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxydec-3-enoate

C17H34O4Si — CID 46180430

IUPACmethyl (E,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxydec-3-enoate
SMILESCOC(=O)C/C=C/CC(O)CC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-14(21-22(6,7)17(2,3)4)12-13-15(18)10-8-9-11-16(19)20-5/h8-9,14-15,18H,10-13H2,1-7H3/b9-8+/t14-,15?/m1/s1
InChIKeyVOXTYUFDCVNZJR-KMDZXENTSA-N
MW330.54 g/mol
LogP4.05
Rot. Bonds9

About methyl (E,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxydec-3-enoate

methyl (E,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxydec-3-enoate (PubChem CID 46180430) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is methyl (E,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxydec-3-enoate.

Molecular Properties

Compound Namemethyl (E,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxydec-3-enoate
PubChem CID46180430
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Namemethyl (E,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxydec-3-enoate
SMILESCOC(=O)C/C=C/CC(O)CC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-14(21-22(6,7)17(2,3)4)12-13-15(18)10-8-9-11-16(19)20-5/h8-9,14-15,18H,10-13H2,1-7H3/b9-8+/t14-,15?/m1/s1
InChIKeyVOXTYUFDCVNZJR-KMDZXENTSA-N
XLogP4.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (E,7S,8R,9R)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxydodec-5-enoate
CID 101166397
methyl (E,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-oxodec-3-enoate
CID 135014328
methyl (5Z,9R,11S,13E,15S)-9-[tert-butyl(dimethyl)silyl]oxy-11,15-dihydroxyicosa-5,13-dienoate
CID 135045945
(12Z,15Z)-9-[tert-butyl(dimethyl)silyl]oxy-10-hydroxyoctadeca-12,15-dienoic acid
CID 11189522
methyl (9R,12Z,15Z)-9-[tert-butyl(dimethyl)silyl]oxy-10-hydroxyoctadeca-12,15-dienoate
CID 11453494
Methyl 9-[tert-butyl(dimethyl)silyl]oxy-10-hydroxyoctadeca-12,15-dienoate
CID 72967436
9-[Tert-butyl(dimethyl)silyl]oxy-10-hydroxyoctadeca-12,15-dienoic acid
CID 85429323
methyl (12Z,15Z)-9-[tert-butyl(dimethyl)silyl]oxy-10-hydroxyoctadeca-12,15-dienoate
CID 88093923
acetic acid;tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane;(E)-hept-5-en-1-ol;methane
CID 161351298
methyl (E,4S)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloct-6-enoate
CID 11313132
(E,7S,8R,9R)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxydodec-5-enoic acid
CID 11328989
(E,7R,9R)-7-[tert-butyl(dimethyl)silyl]oxy-9-hydroxydodec-5-enoic acid
CID 46928806

Frequently Asked Questions

What is the IUPAC name of methyl (E,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxydec-3-enoate?
The IUPAC name of methyl (E,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxydec-3-enoate (CID 46180430) is methyl (E,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxydec-3-enoate.
What is the SMILES notation for methyl (E,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxydec-3-enoate?
The canonical SMILES for methyl (E,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxydec-3-enoate is COC(=O)C/C=C/CC(O)CC[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxydec-3-enoate?
The InChIKey is VOXTYUFDCVNZJR-KMDZXENTSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-14(21-22(6,7)17(2,3)4)12-13-15(18)10-8-9-11-16(19)20-5/h8-9,14-15,18H,10-13H2,1-7H3/b9-8+/t14-,15?/m1/s1.
What are the key properties of methyl (E,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxydec-3-enoate?
methyl (E,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxydec-3-enoate has a molecular weight of 330.54 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-hydroxydec-3-enoate is sourced from PubChem (CID 46180430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).