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

C25H48O4Si — CID 10694417

IUPAC(5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-one
SMILESCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC[C@@H]([C@@H]2CCC(=O)O2)O1
InChIInChI=1S/C25H48O4Si/c1-7-8-9-10-11-12-13-14-15-23(29-30(5,6)25(2,3)4)22-17-16-20(27-22)21-18-19-24(26)28-21/h20-23H,7-19H2,1-6H3/t20-,21-,22-,23-/m0/s1
InChIKeyVLGLLLHWRYZJHL-MLCQCVOFSA-N
MW440.74 g/mol
LogP7.16
Rot. Bonds13

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

(5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-one (PubChem CID 10694417) has the molecular formula C25H48O4Si and a molecular weight of 440.74 g/mol. Its IUPAC name is (5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-one
PubChem CID10694417
Molecular FormulaC25H48O4Si
Molecular Weight440.74 g/mol
Exact Mass440.33
IUPAC Name(5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-one
SMILESCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC[C@@H]([C@@H]2CCC(=O)O2)O1
InChIInChI=1S/C25H48O4Si/c1-7-8-9-10-11-12-13-14-15-23(29-30(5,6)25(2,3)4)22-17-16-20(27-22)21-18-19-24(26)28-21/h20-23H,7-19H2,1-6H3/t20-,21-,22-,23-/m0/s1
InChIKeyVLGLLLHWRYZJHL-MLCQCVOFSA-N
XLogP7.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.74
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl 3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 15596056
(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-one
CID 10499676
(5R)-5-[4-tri(propan-2-yl)silyloxybutyl]oxolan-2-one
CID 11370458
(2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde
CID 11496721
methyl (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-5-oxooxolan-2-yl]hexanoate
CID 14262402
(5S)-5-[[tert-butyl(dimethyl)silyl]oxy-[(2S)-5-oxooxolan-2-yl]methyl]oxolan-2-one
CID 14658518
ethyl 3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 44515757
(2R,3S,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 71733140
(2R,3S,3aR,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 102341292
(5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-one
CID 134939638
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate
CID 166449043
(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-one
CID 10597039

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-one?
The IUPAC name of (5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-one (CID 10694417) is (5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-one is CCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC[C@@H]([C@@H]2CCC(=O)O2)O1.
What is the InChIKey of (5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-one?
The InChIKey is VLGLLLHWRYZJHL-MLCQCVOFSA-N. The full InChI is InChI=1S/C25H48O4Si/c1-7-8-9-10-11-12-13-14-15-23(29-30(5,6)25(2,3)4)22-17-16-20(27-22)21-18-19-24(26)28-21/h20-23H,7-19H2,1-6H3/t20-,21-,22-,23-/m0/s1.
What are the key properties of (5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-one?
(5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-one has a molecular weight of 440.74 g/mol, XLogP of 7.16, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-one is sourced from PubChem (CID 10694417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).