(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol

C12H26O2Si — CID 10489670

IUPAC(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/CO
InChIInChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h6,8,13H,7,9-11H2,1-5H3/b8-6+
InChIKeyOVHZAKKYGNCWAE-SOFGYWHQSA-N
MW230.42 g/mol
LogP3.34
Rot. Bonds6

About (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol

(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol (PubChem CID 10489670) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol.

Molecular Properties

Compound Name(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol
PubChem CID10489670
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/CO
InChIInChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h6,8,13H,7,9-11H2,1-5H3/b8-6+
InChIKeyOVHZAKKYGNCWAE-SOFGYWHQSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.34
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol?
The IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol (CID 10489670) is (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol.
What is the SMILES notation for (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol?
The canonical SMILES for (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol is CC(C)(C)[Si](C)(C)OCCC/C=C/CO.
What is the InChIKey of (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol?
The InChIKey is OVHZAKKYGNCWAE-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h6,8,13H,7,9-11H2,1-5H3/b8-6+.
What are the key properties of (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol?
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol has a molecular weight of 230.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol is sourced from PubChem (CID 10489670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).