(2R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol

C17H36O2Si2 — CID 11738958

IUPAC(2R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](C)C#C[Si](C)(C)C
InChIInChI=1S/C17H36O2Si2/c1-14(11-12-20(6,7)8)16(18)15(2)13-19-21(9,10)17(3,4)5/h14-16,18H,13H2,1-10H3/t14-,15+,16-/m0/s1
InChIKeyNFTKOYRXDGRBSA-XHSDSOJGSA-N
MW328.65 g/mol
LogP4.52
Rot. Bonds5

About (2R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol

(2R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol (PubChem CID 11738958) has the molecular formula C17H36O2Si2 and a molecular weight of 328.65 g/mol. Its IUPAC name is (2R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol.

Molecular Properties

Compound Name(2R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol
PubChem CID11738958
Molecular FormulaC17H36O2Si2
Molecular Weight328.65 g/mol
Exact Mass328.23
IUPAC Name(2R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](C)C#C[Si](C)(C)C
InChIInChI=1S/C17H36O2Si2/c1-14(11-12-20(6,7)8)16(18)15(2)13-19-21(9,10)17(3,4)5/h14-16,18H,13H2,1-10H3/t14-,15+,16-/m0/s1
InChIKeyNFTKOYRXDGRBSA-XHSDSOJGSA-N
XLogP4.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.65
LogP ≤ 54.52
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 (2R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol?
The IUPAC name of (2R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol (CID 11738958) is (2R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol.
What is the SMILES notation for (2R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol?
The canonical SMILES for (2R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol is C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](C)C#C[Si](C)(C)C.
What is the InChIKey of (2R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol?
The InChIKey is NFTKOYRXDGRBSA-XHSDSOJGSA-N. The full InChI is InChI=1S/C17H36O2Si2/c1-14(11-12-20(6,7)8)16(18)15(2)13-19-21(9,10)17(3,4)5/h14-16,18H,13H2,1-10H3/t14-,15+,16-/m0/s1.
What are the key properties of (2R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol?
(2R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol has a molecular weight of 328.65 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-ol is sourced from PubChem (CID 11738958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).