(3R)-1-[tert-butyl(dimethyl)silyl]oxynonan-3-ol

C15H34O2Si — CID 102143598

IUPAC(3R)-1-[tert-butyl(dimethyl)silyl]oxynonan-3-ol
SMILESCCCCCC[C@@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O2Si/c1-7-8-9-10-11-14(16)12-13-17-18(5,6)15(2,3)4/h14,16H,7-13H2,1-6H3/t14-/m1/s1
InChIKeyIZMIZAAHQHMISS-CQSZACIVSA-N
MW274.52 g/mol
LogP4.73
Rot. Bonds9

About (3R)-1-[tert-butyl(dimethyl)silyl]oxynonan-3-ol

(3R)-1-[tert-butyl(dimethyl)silyl]oxynonan-3-ol (PubChem CID 102143598) has the molecular formula C15H34O2Si and a molecular weight of 274.52 g/mol. Its IUPAC name is (3R)-1-[tert-butyl(dimethyl)silyl]oxynonan-3-ol.

Molecular Properties

Compound Name(3R)-1-[tert-butyl(dimethyl)silyl]oxynonan-3-ol
PubChem CID102143598
Molecular FormulaC15H34O2Si
Molecular Weight274.52 g/mol
Exact Mass274.23
IUPAC Name(3R)-1-[tert-butyl(dimethyl)silyl]oxynonan-3-ol
SMILESCCCCCC[C@@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O2Si/c1-7-8-9-10-11-14(16)12-13-17-18(5,6)15(2,3)4/h14,16H,7-13H2,1-6H3/t14-/m1/s1
InChIKeyIZMIZAAHQHMISS-CQSZACIVSA-N
XLogP4.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3R)-1-[tert-butyl(dimethyl)silyl]oxynonan-3-ol?
The IUPAC name of (3R)-1-[tert-butyl(dimethyl)silyl]oxynonan-3-ol (CID 102143598) is (3R)-1-[tert-butyl(dimethyl)silyl]oxynonan-3-ol.
What is the SMILES notation for (3R)-1-[tert-butyl(dimethyl)silyl]oxynonan-3-ol?
The canonical SMILES for (3R)-1-[tert-butyl(dimethyl)silyl]oxynonan-3-ol is CCCCCC[C@@H](O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-1-[tert-butyl(dimethyl)silyl]oxynonan-3-ol?
The InChIKey is IZMIZAAHQHMISS-CQSZACIVSA-N. The full InChI is InChI=1S/C15H34O2Si/c1-7-8-9-10-11-14(16)12-13-17-18(5,6)15(2,3)4/h14,16H,7-13H2,1-6H3/t14-/m1/s1.
What are the key properties of (3R)-1-[tert-butyl(dimethyl)silyl]oxynonan-3-ol?
(3R)-1-[tert-butyl(dimethyl)silyl]oxynonan-3-ol has a molecular weight of 274.52 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[tert-butyl(dimethyl)silyl]oxynonan-3-ol is sourced from PubChem (CID 102143598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).