(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol

C13H26O2Si — CID 11499711

IUPAC(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol
SMILESC#C[C@@H](C)[C@@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-8-11(2)12(14)9-10-15-16(6,7)13(3,4)5/h1,11-12,14H,9-10H2,2-7H3/t11-,12+/m1/s1
InChIKeyBUUYGOLIJIZJBF-NEPJUHHUSA-N
MW242.43 g/mol
LogP3.03
Rot. Bonds5

About (3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol

(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol (PubChem CID 11499711) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol
PubChem CID11499711
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol
SMILESC#C[C@@H](C)[C@@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-8-11(2)12(14)9-10-15-16(6,7)13(3,4)5/h1,11-12,14H,9-10H2,2-7H3/t11-,12+/m1/s1
InChIKeyBUUYGOLIJIZJBF-NEPJUHHUSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol?
The IUPAC name of (3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol (CID 11499711) is (3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol.
What is the SMILES notation for (3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol?
The canonical SMILES for (3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol is C#C[C@@H](C)[C@@H](O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol?
The InChIKey is BUUYGOLIJIZJBF-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-8-11(2)12(14)9-10-15-16(6,7)13(3,4)5/h1,11-12,14H,9-10H2,2-7H3/t11-,12+/m1/s1.
What are the key properties of (3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol?
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol has a molecular weight of 242.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-yn-3-ol is sourced from PubChem (CID 11499711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).