(2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-diene-1,5-diol

C19H38O3Si — CID 11371296

IUPAC(2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-diene-1,5-diol
SMILESC/C=C(\C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](O)C/C=C(\C)CO
InChIInChI=1S/C19H38O3Si/c1-10-15(3)18(22-23(8,9)19(5,6)7)16(4)17(21)12-11-14(2)13-20/h10-11,16-18,20-21H,12-13H2,1-9H3/b14-11+,15-10+/t16-,17-,18+/m0/s1
InChIKeyIWDHTVWNCZHCOR-CQGULOPZSA-N
MW342.60 g/mol
LogP4.67
Rot. Bonds8

About (2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-diene-1,5-diol

(2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-diene-1,5-diol (PubChem CID 11371296) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is (2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-diene-1,5-diol.

Molecular Properties

Compound Name(2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-diene-1,5-diol
PubChem CID11371296
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name(2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-diene-1,5-diol
SMILESC/C=C(\C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](O)C/C=C(\C)CO
InChIInChI=1S/C19H38O3Si/c1-10-15(3)18(22-23(8,9)19(5,6)7)16(4)17(21)12-11-14(2)13-20/h10-11,16-18,20-21H,12-13H2,1-9H3/b14-11+,15-10+/t16-,17-,18+/m0/s1
InChIKeyIWDHTVWNCZHCOR-CQGULOPZSA-N
XLogP4.67
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-diene-1,5-diol?
The IUPAC name of (2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-diene-1,5-diol (CID 11371296) is (2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-diene-1,5-diol.
What is the SMILES notation for (2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-diene-1,5-diol?
The canonical SMILES for (2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-diene-1,5-diol is C/C=C(\C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](O)C/C=C(\C)CO.
What is the InChIKey of (2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-diene-1,5-diol?
The InChIKey is IWDHTVWNCZHCOR-CQGULOPZSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-10-15(3)18(22-23(8,9)19(5,6)7)16(4)17(21)12-11-14(2)13-20/h10-11,16-18,20-21H,12-13H2,1-9H3/b14-11+,15-10+/t16-,17-,18+/m0/s1.
What are the key properties of (2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-diene-1,5-diol?
(2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-diene-1,5-diol has a molecular weight of 342.60 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-diene-1,5-diol is sourced from PubChem (CID 11371296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).