tert-butyl-[(2R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane

C24H50O4Si2 — CID 174031441

IUPACtert-butyl-[(2R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane
SMILESC=CCC[C@@H](C)O[C@@H]1O[C@@H](C)C(O[Si](C)(C)C(C)(C)C)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O4Si2/c1-14-15-16-18(2)25-22-21(28-30(12,13)24(7,8)9)17-20(19(3)26-22)27-29(10,11)23(4,5)6/h14,18-22H,1,15-17H2,2-13H3/t18-,19+,20?,21?,22-/m1/s1
InChIKeyNZSDKPVYDGHDRY-LGIYRLJVSA-N
MW458.83 g/mol
LogP7.27
Rot. Bonds9

About tert-butyl-[(2R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane (PubChem CID 174031441) has the molecular formula C24H50O4Si2 and a molecular weight of 458.83 g/mol. Its IUPAC name is tert-butyl-[(2R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane
PubChem CID174031441
Molecular FormulaC24H50O4Si2
Molecular Weight458.83 g/mol
Exact Mass458.32
IUPAC Nametert-butyl-[(2R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane
SMILESC=CCC[C@@H](C)O[C@@H]1O[C@@H](C)C(O[Si](C)(C)C(C)(C)C)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O4Si2/c1-14-15-16-18(2)25-22-21(28-30(12,13)24(7,8)9)17-20(19(3)26-22)27-29(10,11)23(4,5)6/h14,18-22H,1,15-17H2,2-13H3/t18-,19+,20?,21?,22-/m1/s1
InChIKeyNZSDKPVYDGHDRY-LGIYRLJVSA-N
XLogP7.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.83
LogP ≤ 57.27
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane (CID 174031441) is tert-butyl-[(2R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane is C=CCC[C@@H](C)O[C@@H]1O[C@@H](C)C(O[Si](C)(C)C(C)(C)C)CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane?
The InChIKey is NZSDKPVYDGHDRY-LGIYRLJVSA-N. The full InChI is InChI=1S/C24H50O4Si2/c1-14-15-16-18(2)25-22-21(28-30(12,13)24(7,8)9)17-20(19(3)26-22)27-29(10,11)23(4,5)6/h14,18-22H,1,15-17H2,2-13H3/t18-,19+,20?,21?,22-/m1/s1.
What are the key properties of tert-butyl-[(2R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane has a molecular weight of 458.83 g/mol, XLogP of 7.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-hex-5-en-2-yl]oxy-6-methyloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 174031441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).