tert-butyl-[(2S,3S,4S)-3-methoxy-4-methylhex-5-yn-2-yl]oxy-dimethylsilane

C14H28O2Si — CID 11065056

IUPACtert-butyl-[(2S,3S,4S)-3-methoxy-4-methylhex-5-yn-2-yl]oxy-dimethylsilane
SMILESC#C[C@H](C)[C@H](OC)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-10-11(2)13(15-7)12(3)16-17(8,9)14(4,5)6/h1,11-13H,2-9H3/t11-,12-,13-/m0/s1
InChIKeyWJFPEDMBSGQJCF-AVGNSLFASA-N
MW256.46 g/mol
LogP3.68
Rot. Bonds5

About tert-butyl-[(2S,3S,4S)-3-methoxy-4-methylhex-5-yn-2-yl]oxy-dimethylsilane

tert-butyl-[(2S,3S,4S)-3-methoxy-4-methylhex-5-yn-2-yl]oxy-dimethylsilane (PubChem CID 11065056) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is tert-butyl-[(2S,3S,4S)-3-methoxy-4-methylhex-5-yn-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3S,4S)-3-methoxy-4-methylhex-5-yn-2-yl]oxy-dimethylsilane
PubChem CID11065056
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Nametert-butyl-[(2S,3S,4S)-3-methoxy-4-methylhex-5-yn-2-yl]oxy-dimethylsilane
SMILESC#C[C@H](C)[C@H](OC)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-10-11(2)13(15-7)12(3)16-17(8,9)14(4,5)6/h1,11-13H,2-9H3/t11-,12-,13-/m0/s1
InChIKeyWJFPEDMBSGQJCF-AVGNSLFASA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
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 tert-butyl-[(2S,3S,4S)-3-methoxy-4-methylhex-5-yn-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3S,4S)-3-methoxy-4-methylhex-5-yn-2-yl]oxy-dimethylsilane (CID 11065056) is tert-butyl-[(2S,3S,4S)-3-methoxy-4-methylhex-5-yn-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3S,4S)-3-methoxy-4-methylhex-5-yn-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3S,4S)-3-methoxy-4-methylhex-5-yn-2-yl]oxy-dimethylsilane is C#C[C@H](C)[C@H](OC)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3S,4S)-3-methoxy-4-methylhex-5-yn-2-yl]oxy-dimethylsilane?
The InChIKey is WJFPEDMBSGQJCF-AVGNSLFASA-N. The full InChI is InChI=1S/C14H28O2Si/c1-10-11(2)13(15-7)12(3)16-17(8,9)14(4,5)6/h1,11-13H,2-9H3/t11-,12-,13-/m0/s1.
What are the key properties of tert-butyl-[(2S,3S,4S)-3-methoxy-4-methylhex-5-yn-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3S,4S)-3-methoxy-4-methylhex-5-yn-2-yl]oxy-dimethylsilane has a molecular weight of 256.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3S,4S)-3-methoxy-4-methylhex-5-yn-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11065056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).