(E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol

C18H38O3Si — CID 134837176

IUPAC(E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol
SMILESCCC[C@@H](O)C/C=C/[C@H](CCCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si/c1-7-11-16(20)12-10-14-17(13-8-9-15-19)21-22(5,6)18(2,3)4/h10,14,16-17,19-20H,7-9,11-13,15H2,1-6H3/b14-10+/t16-,17+/m1/s1
InChIKeyYOTNWVNAAPVWBE-KPJVXMDVSA-N
MW330.59 g/mol
LogP4.65
Rot. Bonds11

About (E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol

(E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol (PubChem CID 134837176) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is (E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol.

Molecular Properties

Compound Name(E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol
PubChem CID134837176
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Name(E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol
SMILESCCC[C@@H](O)C/C=C/[C@H](CCCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si/c1-7-11-16(20)12-10-14-17(13-8-9-15-19)21-22(5,6)18(2,3)4/h10,14,16-17,19-20H,7-9,11-13,15H2,1-6H3/b14-10+/t16-,17+/m1/s1
InChIKeyYOTNWVNAAPVWBE-KPJVXMDVSA-N
XLogP4.65
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.59
LogP ≤ 54.65
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol?
The IUPAC name of (E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol (CID 134837176) is (E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol.
What is the SMILES notation for (E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol?
The canonical SMILES for (E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol is CCC[C@@H](O)C/C=C/[C@H](CCCCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol?
The InChIKey is YOTNWVNAAPVWBE-KPJVXMDVSA-N. The full InChI is InChI=1S/C18H38O3Si/c1-7-11-16(20)12-10-14-17(13-8-9-15-19)21-22(5,6)18(2,3)4/h10,14,16-17,19-20H,7-9,11-13,15H2,1-6H3/b14-10+/t16-,17+/m1/s1.
What are the key properties of (E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol?
(E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol has a molecular weight of 330.59 g/mol, XLogP of 4.65, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol is sourced from PubChem (CID 134837176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).