2-[(2R,4R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentyl-1,3-dioxan-4-yl]-1-phenylethanol

C25H44O4Si — CID 132606730

IUPAC2-[(2R,4R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentyl-1,3-dioxan-4-yl]-1-phenylethanol
SMILESCCCCC[C@@H]1OC(CCO[Si](C)(C)C(C)(C)C)C[C@@H](CC(O)c2ccccc2)O1
InChIInChI=1S/C25H44O4Si/c1-7-8-10-15-24-28-21(16-17-27-30(5,6)25(2,3)4)18-22(29-24)19-23(26)20-13-11-9-12-14-20/h9,11-14,21-24,26H,7-8,10,15-19H2,1-6H3/t21?,22-,23?,24+/m0/s1
InChIKeyBUOJVWOKRKWZKL-UEUFPXFLSA-N
MW436.71 g/mol
LogP6.60
Rot. Bonds11

About 2-[(2R,4R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentyl-1,3-dioxan-4-yl]-1-phenylethanol

2-[(2R,4R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentyl-1,3-dioxan-4-yl]-1-phenylethanol (PubChem CID 132606730) has the molecular formula C25H44O4Si and a molecular weight of 436.71 g/mol. Its IUPAC name is 2-[(2R,4R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentyl-1,3-dioxan-4-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[(2R,4R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentyl-1,3-dioxan-4-yl]-1-phenylethanol
PubChem CID132606730
Molecular FormulaC25H44O4Si
Molecular Weight436.71 g/mol
Exact Mass436.30
IUPAC Name2-[(2R,4R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentyl-1,3-dioxan-4-yl]-1-phenylethanol
SMILESCCCCC[C@@H]1OC(CCO[Si](C)(C)C(C)(C)C)C[C@@H](CC(O)c2ccccc2)O1
InChIInChI=1S/C25H44O4Si/c1-7-8-10-15-24-28-21(16-17-27-30(5,6)25(2,3)4)18-22(29-24)19-23(26)20-13-11-9-12-14-20/h9,11-14,21-24,26H,7-8,10,15-19H2,1-6H3/t21?,22-,23?,24+/m0/s1
InChIKeyBUOJVWOKRKWZKL-UEUFPXFLSA-N
XLogP6.60
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.71
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol
CID 175760972
(1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol
CID 11735255
2-[butyl(ditert-butyl)silyl]oxy-1-phenylethanol
CID 10854396
tert-butyl-[[(2S,4S)-4-pentyloxetan-2-yl]methyl]-diphenylsilane
CID 102506110
(1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol
CID 10853609
[(2R,4S,6R)-6-hexyl-2-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl] acetate
CID 100969927
O-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]hydroxylamine
CID 71251740
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane
CID 156806459
tert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane
CID 153444046
benzoic acid;1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol
CID 175428188
tert-butyl-[5-(1,3-dioxolan-2-yl)pentoxy]-dimethylsilane
CID 162154454
[[hydroxy(phenyl)methyl]-dipentoxysilyl]-phenylmethanol
CID 140892730

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentyl-1,3-dioxan-4-yl]-1-phenylethanol?
The IUPAC name of 2-[(2R,4R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentyl-1,3-dioxan-4-yl]-1-phenylethanol (CID 132606730) is 2-[(2R,4R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentyl-1,3-dioxan-4-yl]-1-phenylethanol.
What is the SMILES notation for 2-[(2R,4R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentyl-1,3-dioxan-4-yl]-1-phenylethanol?
The canonical SMILES for 2-[(2R,4R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentyl-1,3-dioxan-4-yl]-1-phenylethanol is CCCCC[C@@H]1OC(CCO[Si](C)(C)C(C)(C)C)C[C@@H](CC(O)c2ccccc2)O1.
What is the InChIKey of 2-[(2R,4R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentyl-1,3-dioxan-4-yl]-1-phenylethanol?
The InChIKey is BUOJVWOKRKWZKL-UEUFPXFLSA-N. The full InChI is InChI=1S/C25H44O4Si/c1-7-8-10-15-24-28-21(16-17-27-30(5,6)25(2,3)4)18-22(29-24)19-23(26)20-13-11-9-12-14-20/h9,11-14,21-24,26H,7-8,10,15-19H2,1-6H3/t21?,22-,23?,24+/m0/s1.
What are the key properties of 2-[(2R,4R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentyl-1,3-dioxan-4-yl]-1-phenylethanol?
2-[(2R,4R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentyl-1,3-dioxan-4-yl]-1-phenylethanol has a molecular weight of 436.71 g/mol, XLogP of 6.60, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pentyl-1,3-dioxan-4-yl]-1-phenylethanol is sourced from PubChem (CID 132606730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).