2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol

C27H40O4Si — CID 11977280

IUPAC2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](C(C)(C)O)O1
InChIInChI=1S/C27H40O4Si/c1-25(2,3)32(21-14-10-8-11-15-21,22-16-12-9-13-17-22)31-20-18-23(26(4,5)28)30-24(19-20)27(6,7)29/h8-17,20,23-24,28-29H,18-19H2,1-7H3/t23-,24-/m1/s1
InChIKeyVYOSDHPGFSCUEW-DNQXCXABSA-N
MW456.70 g/mol
LogP4.02
Rot. Bonds6

About 2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol

2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol (PubChem CID 11977280) has the molecular formula C27H40O4Si and a molecular weight of 456.70 g/mol. Its IUPAC name is 2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol
PubChem CID11977280
Molecular FormulaC27H40O4Si
Molecular Weight456.70 g/mol
Exact Mass456.27
IUPAC Name2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](C(C)(C)O)O1
InChIInChI=1S/C27H40O4Si/c1-25(2,3)32(21-14-10-8-11-15-21,22-16-12-9-13-17-22)31-20-18-23(26(4,5)28)30-24(19-20)27(6,7)29/h8-17,20,23-24,28-29H,18-19H2,1-7H3/t23-,24-/m1/s1
InChIKeyVYOSDHPGFSCUEW-DNQXCXABSA-N
XLogP4.02
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.70
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane
CID 102008296
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol
CID 159197453
4-[tert-butyl(diphenyl)silyl]oxy-2-methylcyclopentan-1-amine
CID 142751894
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone
CID 129323384
cis-methyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 58715061
methyl 3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 21062599
(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol
CID 102433801
(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine
CID 177070919

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol (CID 11977280) is 2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol is CC(C)(O)[C@H]1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](C(C)(C)O)O1.
What is the InChIKey of 2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol?
The InChIKey is VYOSDHPGFSCUEW-DNQXCXABSA-N. The full InChI is InChI=1S/C27H40O4Si/c1-25(2,3)32(21-14-10-8-11-15-21,22-16-12-9-13-17-22)31-20-18-23(26(4,5)28)30-24(19-20)27(6,7)29/h8-17,20,23-24,28-29H,18-19H2,1-7H3/t23-,24-/m1/s1.
What are the key properties of 2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol?
2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol has a molecular weight of 456.70 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol is sourced from PubChem (CID 11977280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).