ethyl (E,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8,9-trihydroxynon-2-enoate

C17H34O6Si — CID 135015587

IUPACethyl (E,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8,9-trihydroxynon-2-enoate
SMILESCCOC(=O)/C=C/CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C17H34O6Si/c1-7-22-15(20)11-9-8-10-14(16(21)13(19)12-18)23-24(5,6)17(2,3)4/h9,11,13-14,16,18-19,21H,7-8,10,12H2,1-6H3/b11-9+/t13-,14+,16+/m1/s1
InChIKeyMADASSPDKRURKX-SFXARFFLSA-N
MW362.54 g/mol
LogP1.99
Rot. Bonds10

About ethyl (E,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8,9-trihydroxynon-2-enoate

ethyl (E,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8,9-trihydroxynon-2-enoate (PubChem CID 135015587) has the molecular formula C17H34O6Si and a molecular weight of 362.54 g/mol. Its IUPAC name is ethyl (E,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8,9-trihydroxynon-2-enoate.

Molecular Properties

Compound Nameethyl (E,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8,9-trihydroxynon-2-enoate
PubChem CID135015587
Molecular FormulaC17H34O6Si
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Nameethyl (E,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8,9-trihydroxynon-2-enoate
SMILESCCOC(=O)/C=C/CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C17H34O6Si/c1-7-22-15(20)11-9-8-10-14(16(21)13(19)12-18)23-24(5,6)17(2,3)4/h9,11,13-14,16,18-19,21H,7-8,10,12H2,1-6H3/b11-9+/t13-,14+,16+/m1/s1
InChIKeyMADASSPDKRURKX-SFXARFFLSA-N
XLogP1.99
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl (E,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8,9-trihydroxynon-2-enoate with MolForge

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Related Compounds

(3E,5S,6R,8R,14S)-5,6,8-trihydroxy-14-pentyl-1-oxacyclotetradec-3-en-2-one
CID 50911007
(3E,5S,6S,8S,14S)-5,6,8-trihydroxy-14-pentyl-1-oxacyclotetradec-3-en-2-one
CID 50911014
(3E,5R,6R,8R,14R)-5,6,8-trihydroxy-14-pentyl-1-oxacyclotetradec-3-en-2-one
CID 50911017
(3E,5R,6S,8R,14R)-5,6,8-trihydroxy-14-pentyl-1-oxacyclotetradec-3-en-2-one
CID 50911006
methyl (E)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate
CID 44397378
Gliomasolide C
CID 139200426
Sch 725674
CID 11566107
(3E,5S,6R,8S,14R)-5,6,8-trihydroxy-14-pentyl-1-oxacyclotetradec-3-en-2-one
CID 50911005
(3E,5R,6S,8R,14S)-5,6,8-trihydroxy-14-pentyl-1-oxacyclotetradec-3-en-2-one
CID 50911009
(3E,5S,6R,8R,14R)-5,6,8-trihydroxy-14-pentyl-1-oxacyclotetradec-3-en-2-one
CID 50911010
(3E,5S,6S,8S,14R)-5,6,8-trihydroxy-14-pentyl-1-oxacyclotetradec-3-en-2-one
CID 50911013
(3E,5R,6R,8S,14S)-5,6,8-trihydroxy-14-pentyl-1-oxacyclotetradec-3-en-2-one
CID 50911016

Frequently Asked Questions

What is the IUPAC name of ethyl (E,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8,9-trihydroxynon-2-enoate?
The IUPAC name of ethyl (E,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8,9-trihydroxynon-2-enoate (CID 135015587) is ethyl (E,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8,9-trihydroxynon-2-enoate.
What is the SMILES notation for ethyl (E,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8,9-trihydroxynon-2-enoate?
The canonical SMILES for ethyl (E,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8,9-trihydroxynon-2-enoate is CCOC(=O)/C=C/CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)CO.
What is the InChIKey of ethyl (E,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8,9-trihydroxynon-2-enoate?
The InChIKey is MADASSPDKRURKX-SFXARFFLSA-N. The full InChI is InChI=1S/C17H34O6Si/c1-7-22-15(20)11-9-8-10-14(16(21)13(19)12-18)23-24(5,6)17(2,3)4/h9,11,13-14,16,18-19,21H,7-8,10,12H2,1-6H3/b11-9+/t13-,14+,16+/m1/s1.
What are the key properties of ethyl (E,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8,9-trihydroxynon-2-enoate?
ethyl (E,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8,9-trihydroxynon-2-enoate has a molecular weight of 362.54 g/mol, XLogP of 1.99, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8,9-trihydroxynon-2-enoate is sourced from PubChem (CID 135015587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).