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

C28H56O4Si — CID 101359698

IUPAC[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol
SMILESCCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CO)O2)O1
InChIInChI=1S/C28H56O4Si/c1-7-8-9-10-11-12-13-14-15-16-17-27(32-33(5,6)28(2,3)4)26-21-20-25(31-26)24-19-18-23(22-29)30-24/h23-27,29H,7-22H2,1-6H3/t23-,24-,25-,26-,27-/m0/s1
InChIKeyMNIMOGAIXJCCNM-IRGGMKSGSA-N
MW484.84 g/mol
LogP7.78
Rot. Bonds16

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

[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol (PubChem CID 101359698) has the molecular formula C28H56O4Si and a molecular weight of 484.84 g/mol. Its IUPAC name is [(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol
PubChem CID101359698
Molecular FormulaC28H56O4Si
Molecular Weight484.84 g/mol
Exact Mass484.39
IUPAC Name[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol
SMILESCCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CO)O2)O1
InChIInChI=1S/C28H56O4Si/c1-7-8-9-10-11-12-13-14-15-16-17-27(32-33(5,6)28(2,3)4)26-21-20-25(31-26)24-19-18-23(22-29)30-24/h23-27,29H,7-22H2,1-6H3/t23-,24-,25-,26-,27-/m0/s1
InChIKeyMNIMOGAIXJCCNM-IRGGMKSGSA-N
XLogP7.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.84
LogP ≤ 57.78
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,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol
CID 102271844
(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
[(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl] acetate
CID 10863146
tert-butyl-[(1S)-1-[(2S,5S)-5-(furan-2-yl)oxolan-2-yl]pentoxy]-dimethylsilane
CID 11427742
[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)tridecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate
CID 10604124
[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate
CID 10700553
(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
(1S)-1-[(2S,5R)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
CID 11533144
tert-butyl-dimethyl-[1-(5-oxabicyclo[2.1.1]hexan-6-yloxy)hexadecan-7-yloxy]silane
CID 57257200
1-(methoxymethoxy)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]heptan-4-ol
CID 89207908
tert-butyl-[10-(methoxymethoxy)-10-[5-[5-[1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]deca-1,8-diyn-5-yl]oxy-dimethylsilane
CID 76585895

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol?
The IUPAC name of [(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol (CID 101359698) is [(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol is CCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CO)O2)O1.
What is the InChIKey of [(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol?
The InChIKey is MNIMOGAIXJCCNM-IRGGMKSGSA-N. The full InChI is InChI=1S/C28H56O4Si/c1-7-8-9-10-11-12-13-14-15-16-17-27(32-33(5,6)28(2,3)4)26-21-20-25(31-26)24-19-18-23(22-29)30-24/h23-27,29H,7-22H2,1-6H3/t23-,24-,25-,26-,27-/m0/s1.
What are the key properties of [(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol?
[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol has a molecular weight of 484.84 g/mol, XLogP of 7.78, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol is sourced from PubChem (CID 101359698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).