(E,2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxyhex-4-ene-2,3-diol

C19H32O4Si — CID 11348751

IUPAC(E,2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxyhex-4-ene-2,3-diol
SMILESC/C(=C\[C@@H](O)[C@H](O)COCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O4Si/c1-15(23-24(5,6)19(2,3)4)12-17(20)18(21)14-22-13-16-10-8-7-9-11-16/h7-12,17-18,20-21H,13-14H2,1-6H3/b15-12+/t17-,18-/m1/s1
InChIKeyCOBJIHVKFUKPGK-HRSGCLKMSA-N
MW352.55 g/mol
LogP3.85
Rot. Bonds8

About (E,2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxyhex-4-ene-2,3-diol

(E,2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxyhex-4-ene-2,3-diol (PubChem CID 11348751) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is (E,2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxyhex-4-ene-2,3-diol.

Molecular Properties

Compound Name(E,2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxyhex-4-ene-2,3-diol
PubChem CID11348751
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Name(E,2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxyhex-4-ene-2,3-diol
SMILESC/C(=C\[C@@H](O)[C@H](O)COCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O4Si/c1-15(23-24(5,6)19(2,3)4)12-17(20)18(21)14-22-13-16-10-8-7-9-11-16/h7-12,17-18,20-21H,13-14H2,1-6H3/b15-12+/t17-,18-/m1/s1
InChIKeyCOBJIHVKFUKPGK-HRSGCLKMSA-N
XLogP3.85
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(E,2S,3R)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-1-phenylmethoxyhept-4-en-3-ol
CID 101339682
(2S,3R)-3-chloro-4,4-dimethyl-1-phenylmethoxypentan-2-ol
CID 134934585
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
CID 140735332
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol
CID 10247403
(E,2S,3R)-3-methyl-1-phenylmethoxy-6-trimethylsilylhex-4-en-2-ol
CID 102275586
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol
CID 101470111
(E,4S,6R,9S,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-2,2,4,6,8,10-hexamethyl-12-phenylmethoxydodec-7-en-3-ol
CID 164887777
(E,2S,3S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-phenylmethoxyhept-4-en-3-ol
CID 101339691
(3S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7-phenylmethoxyheptane-3,5-diol
CID 134970527
(2S,3S)-4,4-dimethyl-1-phenylmethoxyheptane-2,3,6-triol
CID 10085190

Frequently Asked Questions

What is the IUPAC name of (E,2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxyhex-4-ene-2,3-diol?
The IUPAC name of (E,2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxyhex-4-ene-2,3-diol (CID 11348751) is (E,2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxyhex-4-ene-2,3-diol.
What is the SMILES notation for (E,2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxyhex-4-ene-2,3-diol?
The canonical SMILES for (E,2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxyhex-4-ene-2,3-diol is C/C(=C\[C@@H](O)[C@H](O)COCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxyhex-4-ene-2,3-diol?
The InChIKey is COBJIHVKFUKPGK-HRSGCLKMSA-N. The full InChI is InChI=1S/C19H32O4Si/c1-15(23-24(5,6)19(2,3)4)12-17(20)18(21)14-22-13-16-10-8-7-9-11-16/h7-12,17-18,20-21H,13-14H2,1-6H3/b15-12+/t17-,18-/m1/s1.
What are the key properties of (E,2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxyhex-4-ene-2,3-diol?
(E,2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxyhex-4-ene-2,3-diol has a molecular weight of 352.55 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxyhex-4-ene-2,3-diol is sourced from PubChem (CID 11348751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).