(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-yn-1-ol

C15H28O2Si — CID 134848261

IUPAC(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-yn-1-ol
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C=C)CO
InChIInChI=1S/C15H28O2Si/c1-9-13(11-16)12(3)14(10-2)17-18(7,8)15(4,5)6/h2,9,12-14,16H,1,11H2,3-8H3/t12-,13+,14+/m1/s1
InChIKeyKCRIQMCCNMTCTM-RDBSUJKOSA-N
MW268.47 g/mol
LogP3.44
Rot. Bonds6

About (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-yn-1-ol

(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-yn-1-ol (PubChem CID 134848261) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-yn-1-ol.

Molecular Properties

Compound Name(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-yn-1-ol
PubChem CID134848261
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-yn-1-ol
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C=C)CO
InChIInChI=1S/C15H28O2Si/c1-9-13(11-16)12(3)14(10-2)17-18(7,8)15(4,5)6/h2,9,12-14,16H,1,11H2,3-8H3/t12-,13+,14+/m1/s1
InChIKeyKCRIQMCCNMTCTM-RDBSUJKOSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.44
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-yn-1-ol?
The IUPAC name of (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-yn-1-ol (CID 134848261) is (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-yn-1-ol.
What is the SMILES notation for (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-yn-1-ol?
The canonical SMILES for (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-yn-1-ol is C#C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C=C)CO.
What is the InChIKey of (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-yn-1-ol?
The InChIKey is KCRIQMCCNMTCTM-RDBSUJKOSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-9-13(11-16)12(3)14(10-2)17-18(7,8)15(4,5)6/h2,9,12-14,16H,1,11H2,3-8H3/t12-,13+,14+/m1/s1.
What are the key properties of (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-yn-1-ol?
(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-yn-1-ol has a molecular weight of 268.47 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-yn-1-ol is sourced from PubChem (CID 134848261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).