ethyl (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynona-2,8-dienoate

C17H32O4Si — CID 135015588

IUPACethyl (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynona-2,8-dienoate
SMILESC=C[C@H](O)[C@H](CC/C=C/C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-8-14(18)15(21-22(6,7)17(3,4)5)12-10-11-13-16(19)20-9-2/h8,11,13-15,18H,1,9-10,12H2,2-7H3/b13-11+/t14-,15-/m0/s1
InChIKeyNSGBMKQTRCCMIE-CYAURGIBSA-N
MW328.53 g/mol
LogP3.82
Rot. Bonds9

About ethyl (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynona-2,8-dienoate

ethyl (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynona-2,8-dienoate (PubChem CID 135015588) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is ethyl (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynona-2,8-dienoate.

Molecular Properties

Compound Nameethyl (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynona-2,8-dienoate
PubChem CID135015588
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Nameethyl (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynona-2,8-dienoate
SMILESC=C[C@H](O)[C@H](CC/C=C/C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-8-14(18)15(21-22(6,7)17(3,4)5)12-10-11-13-16(19)20-9-2/h8,11,13-15,18H,1,9-10,12H2,2-7H3/b13-11+/t14-,15-/m0/s1
InChIKeyNSGBMKQTRCCMIE-CYAURGIBSA-N
XLogP3.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 53.82
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoic acid
CID 12192991
Hydrolyzed cordybislactone
CID 139589502
(4S,8-diacetyloxy-2,6-octadiene
CID 5468986
Ethyl-(4S,6-octadienoate
CID 5468988
Ethyl (4R*,5R*)-(E)-4-hydroxy-5-(tert-butyldimethylsilyl)oxy-2-hexenoate
CID 11493008
methyl (E,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-6-methyloct-2-enoate
CID 10958075
ethyl (E,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylhept-2-enoate
CID 11141640
methyl (E,4R,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6-dimethylhept-2-enoate
CID 11290062
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
methyl (2E,4S,5R,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,6-dimethyldeca-2,8-dienoate
CID 11394194
[(3S,4S,5E,8S)-8-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7-oxonona-1,5-dien-4-yl] prop-2-enoate
CID 11508665

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynona-2,8-dienoate?
The IUPAC name of ethyl (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynona-2,8-dienoate (CID 135015588) is ethyl (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynona-2,8-dienoate.
What is the SMILES notation for ethyl (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynona-2,8-dienoate?
The canonical SMILES for ethyl (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynona-2,8-dienoate is C=C[C@H](O)[C@H](CC/C=C/C(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynona-2,8-dienoate?
The InChIKey is NSGBMKQTRCCMIE-CYAURGIBSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-8-14(18)15(21-22(6,7)17(3,4)5)12-10-11-13-16(19)20-9-2/h8,11,13-15,18H,1,9-10,12H2,2-7H3/b13-11+/t14-,15-/m0/s1.
What are the key properties of ethyl (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynona-2,8-dienoate?
ethyl (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynona-2,8-dienoate has a molecular weight of 328.53 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynona-2,8-dienoate is sourced from PubChem (CID 135015588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).