(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol

C12H26O2Si — CID 24822910

IUPAC(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
SMILESC=C[C@@H](O)C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-8-11(13)9-10(2)14-15(6,7)12(3,4)5/h8,10-11,13H,1,9H2,2-7H3/t10-,11-/m1/s1
InChIKeyXIQSZTFGUIKDDB-GHMZBOCLSA-N
MW230.42 g/mol
LogP3.33
Rot. Bonds5

About (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol

(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol (PubChem CID 24822910) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
PubChem CID24822910
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
SMILESC=C[C@@H](O)C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-8-11(13)9-10(2)14-15(6,7)12(3,4)5/h8,10-11,13H,1,9H2,2-7H3/t10-,11-/m1/s1
InChIKeyXIQSZTFGUIKDDB-GHMZBOCLSA-N
XLogP3.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol?
The IUPAC name of (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol (CID 24822910) is (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol.
What is the SMILES notation for (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol?
The canonical SMILES for (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol is C=C[C@@H](O)C[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol?
The InChIKey is XIQSZTFGUIKDDB-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-8-11(13)9-10(2)14-15(6,7)12(3,4)5/h8,10-11,13H,1,9H2,2-7H3/t10-,11-/m1/s1.
What are the key properties of (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol?
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol has a molecular weight of 230.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol is sourced from PubChem (CID 24822910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).