3-[2-[dimethyl(undecyl)silyl]oxan-2-yl]oxypropane-1,2-diol

C21H44O4Si — CID 175519275

IUPAC3-[2-[dimethyl(undecyl)silyl]oxan-2-yl]oxypropane-1,2-diol
SMILESCCCCCCCCCCC[Si](C)(C)C1(OCC(O)CO)CCCCO1
InChIInChI=1S/C21H44O4Si/c1-4-5-6-7-8-9-10-11-14-17-26(2,3)21(15-12-13-16-24-21)25-19-20(23)18-22/h20,22-23H,4-19H2,1-3H3
InChIKeyUTNDVJNWYIKYFP-UHFFFAOYSA-N
MW388.67 g/mol
LogP5.03
Rot. Bonds15

About 3-[2-[dimethyl(undecyl)silyl]oxan-2-yl]oxypropane-1,2-diol

3-[2-[dimethyl(undecyl)silyl]oxan-2-yl]oxypropane-1,2-diol (PubChem CID 175519275) has the molecular formula C21H44O4Si and a molecular weight of 388.67 g/mol. Its IUPAC name is 3-[2-[dimethyl(undecyl)silyl]oxan-2-yl]oxypropane-1,2-diol.

Molecular Properties

Compound Name3-[2-[dimethyl(undecyl)silyl]oxan-2-yl]oxypropane-1,2-diol
PubChem CID175519275
Molecular FormulaC21H44O4Si
Molecular Weight388.67 g/mol
Exact Mass388.30
IUPAC Name3-[2-[dimethyl(undecyl)silyl]oxan-2-yl]oxypropane-1,2-diol
SMILESCCCCCCCCCCC[Si](C)(C)C1(OCC(O)CO)CCCCO1
InChIInChI=1S/C21H44O4Si/c1-4-5-6-7-8-9-10-11-14-17-26(2,3)21(15-12-13-16-24-21)25-19-20(23)18-22/h20,22-23H,4-19H2,1-3H3
InChIKeyUTNDVJNWYIKYFP-UHFFFAOYSA-N
XLogP5.03
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.67
LogP ≤ 55.03
H-Bond Donors ≤ 52
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 3-[2-[dimethyl(undecyl)silyl]oxan-2-yl]oxypropane-1,2-diol?
The IUPAC name of 3-[2-[dimethyl(undecyl)silyl]oxan-2-yl]oxypropane-1,2-diol (CID 175519275) is 3-[2-[dimethyl(undecyl)silyl]oxan-2-yl]oxypropane-1,2-diol.
What is the SMILES notation for 3-[2-[dimethyl(undecyl)silyl]oxan-2-yl]oxypropane-1,2-diol?
The canonical SMILES for 3-[2-[dimethyl(undecyl)silyl]oxan-2-yl]oxypropane-1,2-diol is CCCCCCCCCCC[Si](C)(C)C1(OCC(O)CO)CCCCO1.
What is the InChIKey of 3-[2-[dimethyl(undecyl)silyl]oxan-2-yl]oxypropane-1,2-diol?
The InChIKey is UTNDVJNWYIKYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O4Si/c1-4-5-6-7-8-9-10-11-14-17-26(2,3)21(15-12-13-16-24-21)25-19-20(23)18-22/h20,22-23H,4-19H2,1-3H3.
What are the key properties of 3-[2-[dimethyl(undecyl)silyl]oxan-2-yl]oxypropane-1,2-diol?
3-[2-[dimethyl(undecyl)silyl]oxan-2-yl]oxypropane-1,2-diol has a molecular weight of 388.67 g/mol, XLogP of 5.03, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[dimethyl(undecyl)silyl]oxan-2-yl]oxypropane-1,2-diol is sourced from PubChem (CID 175519275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).