[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol

C24H50O3Si — CID 102271844

IUPAC[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol
SMILESCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC[C@H](CO)O1
InChIInChI=1S/C24H50O3Si/c1-7-8-9-10-11-12-13-14-15-16-17-23(22-19-18-21(20-25)26-22)27-28(5,6)24(2,3)4/h21-23,25H,7-20H2,1-6H3/t21-,22+,23-/m1/s1
InChIKeyBLVISSWZRYFYTM-XPWALMASSA-N
MW414.75 g/mol
LogP7.23
Rot. Bonds15

About [(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol

[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol (PubChem CID 102271844) has the molecular formula C24H50O3Si and a molecular weight of 414.75 g/mol. Its IUPAC name is [(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol
PubChem CID102271844
Molecular FormulaC24H50O3Si
Molecular Weight414.75 g/mol
Exact Mass414.35
IUPAC Name[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol
SMILESCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC[C@H](CO)O1
InChIInChI=1S/C24H50O3Si/c1-7-8-9-10-11-12-13-14-15-16-17-23(22-19-18-21(20-25)26-22)27-28(5,6)24(2,3)4/h21-23,25H,7-20H2,1-6H3/t21-,22+,23-/m1/s1
InChIKeyBLVISSWZRYFYTM-XPWALMASSA-N
XLogP7.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.75
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol
CID 101359698
[(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl] acetate
CID 10863146
(5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-one
CID 11488203
(15R)-15-[(2R,5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]undecyl]oxolan-2-yl]oxolan-2-yl]-15-[tert-butyl(dimethyl)silyl]oxypentadecanoic acid
CID 10985839
(1S,4S)-1-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]-4-[(2S,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butane-1,4-diol
CID 11988735
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,5S)-5-[(1S)-1-[(4-methoxyphenyl)methoxy]pentyl]oxolan-2-yl]butan-1-ol
CID 11619962
tert-butyl-[(1S)-1-[(2S,5S)-5-(furan-2-yl)oxolan-2-yl]pentoxy]-dimethylsilane
CID 11427742
(2S)-4-[(2R,13R)-13-[tert-butyl(dimethyl)silyl]oxy-2-methyl-13-[(2R,5S)-5-[(2S)-tetradecan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
CID 59456645
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
(5S)-3-[(13R)-13-[tert-butyl(dimethyl)silyl]oxy-13-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-8-hydroxytridec-10-ynyl]-4-(methoxymethoxy)-5-methyloxolan-2-one
CID 10373426
1-(5-ethyloxolan-2-yl)tridecan-1-ol
CID 20670075

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol?
The IUPAC name of [(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol (CID 102271844) is [(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol.
What is the SMILES notation for [(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol?
The canonical SMILES for [(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol is CCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC[C@H](CO)O1.
What is the InChIKey of [(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol?
The InChIKey is BLVISSWZRYFYTM-XPWALMASSA-N. The full InChI is InChI=1S/C24H50O3Si/c1-7-8-9-10-11-12-13-14-15-16-17-23(22-19-18-21(20-25)26-22)27-28(5,6)24(2,3)4/h21-23,25H,7-20H2,1-6H3/t21-,22+,23-/m1/s1.
What are the key properties of [(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol?
[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol has a molecular weight of 414.75 g/mol, XLogP of 7.23, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol is sourced from PubChem (CID 102271844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).