(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol

C31H40O3Si — CID 135015770

IUPAC(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H](C/C=C\CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H40O3Si/c1-30(2,3)35(4,5)34-29(23-15-16-24-32)25-33-31(26-17-9-6-10-18-26,27-19-11-7-12-20-27)28-21-13-8-14-22-28/h6-22,29,32H,23-25H2,1-5H3/b16-15-/t29-/m1/s1
InChIKeyBNOVLWZZLBFGDC-CPWWBXQMSA-N
MW488.74 g/mol
LogP7.32
Rot. Bonds11

About (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol

(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol (PubChem CID 135015770) has the molecular formula C31H40O3Si and a molecular weight of 488.74 g/mol. Its IUPAC name is (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol.

Molecular Properties

Compound Name(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol
PubChem CID135015770
Molecular FormulaC31H40O3Si
Molecular Weight488.74 g/mol
Exact Mass488.27
IUPAC Name(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H](C/C=C\CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H40O3Si/c1-30(2,3)35(4,5)34-29(23-15-16-24-32)25-33-31(26-17-9-6-10-18-26,27-19-11-7-12-20-27)28-21-13-8-14-22-28/h6-22,29,32H,23-25H2,1-5H3/b16-15-/t29-/m1/s1
InChIKeyBNOVLWZZLBFGDC-CPWWBXQMSA-N
XLogP7.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.74
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(E,4R,5S,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-8-trityloxyoct-2-en-4-ol
CID 59891823
methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate
CID 10424227
tert-butyl-dimethyl-(6-trityloxyhexoxy)silane
CID 16753413
[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enyl] trifluoromethanesulfonate
CID 11059811
tert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide
CID 158278224
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol
CID 139246891
2-hex-1-enoxy-3-trityloxypropan-1-ol
CID 90954826
[diphenyl-[(2S)-2-propan-2-yloxybutoxy]methyl]benzene;propane-2,2-diol
CID 143157541
[(2S,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylsulfonyloxy-5-trityloxypentyl] methanesulfonate
CID 10865636
[(3S,4E,6Z,8E,10S,12Z)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-10-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,8,12-tetraen-3-yl]oxy-tert-butyl-dimethylsilane
CID 175900493
(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
CID 19737479
2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxydecyl]-N-(5-trityloxypentyl)decan-1-amine
CID 171814705

Frequently Asked Questions

What is the IUPAC name of (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol?
The IUPAC name of (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol (CID 135015770) is (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol.
What is the SMILES notation for (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol?
The canonical SMILES for (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol is CC(C)(C)[Si](C)(C)O[C@H](C/C=C\CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol?
The InChIKey is BNOVLWZZLBFGDC-CPWWBXQMSA-N. The full InChI is InChI=1S/C31H40O3Si/c1-30(2,3)35(4,5)34-29(23-15-16-24-32)25-33-31(26-17-9-6-10-18-26,27-19-11-7-12-20-27)28-21-13-8-14-22-28/h6-22,29,32H,23-25H2,1-5H3/b16-15-/t29-/m1/s1.
What are the key properties of (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol?
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol has a molecular weight of 488.74 g/mol, XLogP of 7.32, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol is sourced from PubChem (CID 135015770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).