(E,2R,3R,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-iodo-8,10-dimethylundec-10-ene-1,3-diol

C20H41IO3Si — CID 10254752

IUPAC(E,2R,3R,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-iodo-8,10-dimethylundec-10-ene-1,3-diol
SMILESC/C(=C\I)C[C@H](C)CCCC[C@@H](O)[C@H](CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H41IO3Si/c1-16(12-17(2)13-21)10-8-9-11-19(23)18(14-22)15-24-25(6,7)20(3,4)5/h13,16,18-19,22-23H,8-12,14-15H2,1-7H3/b17-13+/t16-,18-,19-/m1/s1
InChIKeyIORGHZHQGWFMMI-ATZMXTJDSA-N
MW484.54 g/mol
LogP5.90
Rot. Bonds12

About (E,2R,3R,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-iodo-8,10-dimethylundec-10-ene-1,3-diol

(E,2R,3R,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-iodo-8,10-dimethylundec-10-ene-1,3-diol (PubChem CID 10254752) has the molecular formula C20H41IO3Si and a molecular weight of 484.54 g/mol. Its IUPAC name is (E,2R,3R,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-iodo-8,10-dimethylundec-10-ene-1,3-diol.

Molecular Properties

Compound Name(E,2R,3R,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-iodo-8,10-dimethylundec-10-ene-1,3-diol
PubChem CID10254752
Molecular FormulaC20H41IO3Si
Molecular Weight484.54 g/mol
Exact Mass484.19
IUPAC Name(E,2R,3R,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-iodo-8,10-dimethylundec-10-ene-1,3-diol
SMILESC/C(=C\I)C[C@H](C)CCCC[C@@H](O)[C@H](CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H41IO3Si/c1-16(12-17(2)13-21)10-8-9-11-19(23)18(14-22)15-24-25(6,7)20(3,4)5/h13,16,18-19,22-23H,8-12,14-15H2,1-7H3/b17-13+/t16-,18-,19-/m1/s1
InChIKeyIORGHZHQGWFMMI-ATZMXTJDSA-N
XLogP5.90
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.54
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2R,3R,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-iodo-8,10-dimethylundec-10-ene-1,3-diol?
The IUPAC name of (E,2R,3R,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-iodo-8,10-dimethylundec-10-ene-1,3-diol (CID 10254752) is (E,2R,3R,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-iodo-8,10-dimethylundec-10-ene-1,3-diol.
What is the SMILES notation for (E,2R,3R,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-iodo-8,10-dimethylundec-10-ene-1,3-diol?
The canonical SMILES for (E,2R,3R,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-iodo-8,10-dimethylundec-10-ene-1,3-diol is C/C(=C\I)C[C@H](C)CCCC[C@@H](O)[C@H](CO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2R,3R,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-iodo-8,10-dimethylundec-10-ene-1,3-diol?
The InChIKey is IORGHZHQGWFMMI-ATZMXTJDSA-N. The full InChI is InChI=1S/C20H41IO3Si/c1-16(12-17(2)13-21)10-8-9-11-19(23)18(14-22)15-24-25(6,7)20(3,4)5/h13,16,18-19,22-23H,8-12,14-15H2,1-7H3/b17-13+/t16-,18-,19-/m1/s1.
What are the key properties of (E,2R,3R,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-iodo-8,10-dimethylundec-10-ene-1,3-diol?
(E,2R,3R,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-iodo-8,10-dimethylundec-10-ene-1,3-diol has a molecular weight of 484.54 g/mol, XLogP of 5.90, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-iodo-8,10-dimethylundec-10-ene-1,3-diol is sourced from PubChem (CID 10254752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).