tert-butyl-[(1R)-1-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]tridecoxy]-dimethylsilane

C28H56O4Si — CID 10791058

IUPACtert-butyl-[(1R)-1-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]tridecoxy]-dimethylsilane
SMILESCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@@H]2COC(C)(C)O2)O1
InChIInChI=1S/C28H56O4Si/c1-9-10-11-12-13-14-15-16-17-18-19-25(32-33(7,8)27(2,3)4)23-20-21-24(30-23)26-22-29-28(5,6)31-26/h23-26H,9-22H2,1-8H3/t23-,24-,25-,26+/m1/s1
InChIKeyMFOFSTNCKFYOJW-POTDNYQPSA-N
MW484.84 g/mol
LogP8.39
Rot. Bonds15

About tert-butyl-[(1R)-1-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]tridecoxy]-dimethylsilane

tert-butyl-[(1R)-1-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]tridecoxy]-dimethylsilane (PubChem CID 10791058) has the molecular formula C28H56O4Si and a molecular weight of 484.84 g/mol. Its IUPAC name is tert-butyl-[(1R)-1-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]tridecoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R)-1-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]tridecoxy]-dimethylsilane
PubChem CID10791058
Molecular FormulaC28H56O4Si
Molecular Weight484.84 g/mol
Exact Mass484.39
IUPAC Nametert-butyl-[(1R)-1-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]tridecoxy]-dimethylsilane
SMILESCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@@H]2COC(C)(C)O2)O1
InChIInChI=1S/C28H56O4Si/c1-9-10-11-12-13-14-15-16-17-18-19-25(32-33(7,8)27(2,3)4)23-20-21-24(30-23)26-22-29-28(5,6)31-26/h23-26H,9-22H2,1-8H3/t23-,24-,25-,26+/m1/s1
InChIKeyMFOFSTNCKFYOJW-POTDNYQPSA-N
XLogP8.39
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.84
LogP ≤ 58.39
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R)-1-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]tridecoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R)-1-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]tridecoxy]-dimethylsilane (CID 10791058) is tert-butyl-[(1R)-1-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]tridecoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R)-1-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]tridecoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R)-1-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]tridecoxy]-dimethylsilane is CCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@@H]2COC(C)(C)O2)O1.
What is the InChIKey of tert-butyl-[(1R)-1-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]tridecoxy]-dimethylsilane?
The InChIKey is MFOFSTNCKFYOJW-POTDNYQPSA-N. The full InChI is InChI=1S/C28H56O4Si/c1-9-10-11-12-13-14-15-16-17-18-19-25(32-33(7,8)27(2,3)4)23-20-21-24(30-23)26-22-29-28(5,6)31-26/h23-26H,9-22H2,1-8H3/t23-,24-,25-,26+/m1/s1.
What are the key properties of tert-butyl-[(1R)-1-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]tridecoxy]-dimethylsilane?
tert-butyl-[(1R)-1-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]tridecoxy]-dimethylsilane has a molecular weight of 484.84 g/mol, XLogP of 8.39, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-1-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]tridecoxy]-dimethylsilane is sourced from PubChem (CID 10791058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).