tert-butyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydeca-6,8-dienoate

C20H38O4Si — CID 10904745

IUPACtert-butyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydeca-6,8-dienoate
SMILESC/C=C/C=C/[C@@H](C[C@H](O)CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O4Si/c1-10-11-12-13-17(24-25(8,9)20(5,6)7)14-16(21)15-18(22)23-19(2,3)4/h10-13,16-17,21H,14-15H2,1-9H3/b11-10+,13-12+/t16-,17-/m0/s1
InChIKeyCXBFMLNFLXZJJW-KXBMRAGMSA-N
MW370.61 g/mol
LogP4.99
Rot. Bonds8

About tert-butyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydeca-6,8-dienoate

tert-butyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydeca-6,8-dienoate (PubChem CID 10904745) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is tert-butyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydeca-6,8-dienoate.

Molecular Properties

Compound Nametert-butyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydeca-6,8-dienoate
PubChem CID10904745
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Nametert-butyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydeca-6,8-dienoate
SMILESC/C=C/C=C/[C@@H](C[C@H](O)CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O4Si/c1-10-11-12-13-17(24-25(8,9)20(5,6)7)14-16(21)15-18(22)23-19(2,3)4/h10-13,16-17,21H,14-15H2,1-9H3/b11-10+,13-12+/t16-,17-/m0/s1
InChIKeyCXBFMLNFLXZJJW-KXBMRAGMSA-N
XLogP4.99
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxytetradeca-6,8-dienoate
CID 25199404
(E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxy-9-hydroxydodec-6-enoic acid
CID 57326433
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
methyl (3S,5R,6E)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxynona-6,8-dienoate
CID 72948036
methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-6-enoate
CID 139257724
methyl (5S,6E,8Z,11Z,14Z,16E,18R)-5,18-bis[[tert-butyl(dimethyl)silyl]oxy]icosa-6,8,11,14,16-pentaenoate
CID 146162789
methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate
CID 14805432
tert-butyl (6E,8E)-5-hydroxy-3-oxotetradeca-6,8-dienoate
CID 20330582
methyl (6E,8E)-3-oxo-5-trimethylsilyloxytetradeca-6,8-dienoate
CID 20330593
Tert-butyl 5-hydroxy-3-oxotetradeca-6,8-dienoate
CID 53845219
Methyl 3-oxo-5-trimethylsilyloxytetradeca-6,8-dienoate
CID 53967291

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydeca-6,8-dienoate?
The IUPAC name of tert-butyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydeca-6,8-dienoate (CID 10904745) is tert-butyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydeca-6,8-dienoate.
What is the SMILES notation for tert-butyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydeca-6,8-dienoate?
The canonical SMILES for tert-butyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydeca-6,8-dienoate is C/C=C/C=C/[C@@H](C[C@H](O)CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydeca-6,8-dienoate?
The InChIKey is CXBFMLNFLXZJJW-KXBMRAGMSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-10-11-12-13-17(24-25(8,9)20(5,6)7)14-16(21)15-18(22)23-19(2,3)4/h10-13,16-17,21H,14-15H2,1-9H3/b11-10+,13-12+/t16-,17-/m0/s1.
What are the key properties of tert-butyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydeca-6,8-dienoate?
tert-butyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydeca-6,8-dienoate has a molecular weight of 370.61 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxydeca-6,8-dienoate is sourced from PubChem (CID 10904745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).