ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5,9-dimethyldeca-4,8-dienoate

C20H38O4Si — CID 10547161

IUPACethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5,9-dimethyldeca-4,8-dienoate
SMILESCCOC(=O)CC(O)/C=C(\C)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O4Si/c1-9-23-19(22)14-18(21)13-16(2)11-10-12-17(3)15-24-25(7,8)20(4,5)6/h12-13,18,21H,9-11,14-15H2,1-8H3/b16-13+,17-12+
InChIKeyQVHCQRNARLTIGW-JSHGDNENSA-N
MW370.61 g/mol
LogP5.00
Rot. Bonds10

About ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5,9-dimethyldeca-4,8-dienoate

ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5,9-dimethyldeca-4,8-dienoate (PubChem CID 10547161) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5,9-dimethyldeca-4,8-dienoate.

Molecular Properties

Compound Nameethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5,9-dimethyldeca-4,8-dienoate
PubChem CID10547161
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Nameethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5,9-dimethyldeca-4,8-dienoate
SMILESCCOC(=O)CC(O)/C=C(\C)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O4Si/c1-9-23-19(22)14-18(21)13-16(2)11-10-12-17(3)15-24-25(7,8)20(4,5)6/h12-13,18,21H,9-11,14-15H2,1-8H3/b16-13+,17-12+
InChIKeyQVHCQRNARLTIGW-JSHGDNENSA-N
XLogP5.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 55.00
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

(2R,4S,5E,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 11091533
ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodeca-4,6-dienoate
CID 57327644
ethyl (3S,4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodeca-4,6-dienoate
CID 57327646
(3S,4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydodeca-4,6-dienoic acid
CID 134837095
ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate
CID 134952080
methyl (2S,3R,4E,6Z,8Z,10S,11S,12E)-11,14-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-2,6,8,10,13-pentamethyltetradeca-4,6,8,12-tetraenoate
CID 135036220
ethyl (3S)-3-hydroxy-5,9-dimethyldeca-4,8-dienoate
CID 155932832
methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate
CID 14805432
(4E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
CID 19705947
2-trimethylsilylethyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-4-enoate
CID 45276075
3-[Tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
CID 53754833
Tert-butyl 3-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienoate
CID 57103429

Frequently Asked Questions

What is the IUPAC name of ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5,9-dimethyldeca-4,8-dienoate?
The IUPAC name of ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5,9-dimethyldeca-4,8-dienoate (CID 10547161) is ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5,9-dimethyldeca-4,8-dienoate.
What is the SMILES notation for ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5,9-dimethyldeca-4,8-dienoate?
The canonical SMILES for ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5,9-dimethyldeca-4,8-dienoate is CCOC(=O)CC(O)/C=C(\C)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5,9-dimethyldeca-4,8-dienoate?
The InChIKey is QVHCQRNARLTIGW-JSHGDNENSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-9-23-19(22)14-18(21)13-16(2)11-10-12-17(3)15-24-25(7,8)20(4,5)6/h12-13,18,21H,9-11,14-15H2,1-8H3/b16-13+,17-12+.
What are the key properties of ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5,9-dimethyldeca-4,8-dienoate?
ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5,9-dimethyldeca-4,8-dienoate has a molecular weight of 370.61 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5,9-dimethyldeca-4,8-dienoate is sourced from PubChem (CID 10547161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).