tert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane

C13H26OSi — CID 25098862

IUPACtert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane
SMILESC#CCCC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-8-9-10-11-12(2)14-15(6,7)13(3,4)5/h1,12H,9-11H2,2-7H3/t12-/m1/s1
InChIKeyVIPPDOPLOVXOQE-GFCCVEGCSA-N
MW226.44 g/mol
LogP4.20
Rot. Bonds5

About tert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane

tert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane (PubChem CID 25098862) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is tert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane
PubChem CID25098862
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Nametert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane
SMILESC#CCCC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-8-9-10-11-12(2)14-15(6,7)13(3,4)5/h1,12H,9-11H2,2-7H3/t12-/m1/s1
InChIKeyVIPPDOPLOVXOQE-GFCCVEGCSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl-dimethyl-pentadecan-2-yloxysilane
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tert-butyl-dimethyl-tridecan-2-yloxysilane
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[(2R)-7-bromoheptan-2-yl]oxy-tert-butyl-dimethylsilane
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(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undecan-6-one
CID 10598768
tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane
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3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane (CID 25098862) is tert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane is C#CCCC[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane?
The InChIKey is VIPPDOPLOVXOQE-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26OSi/c1-8-9-10-11-12(2)14-15(6,7)13(3,4)5/h1,12H,9-11H2,2-7H3/t12-/m1/s1.
What are the key properties of tert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane has a molecular weight of 226.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 25098862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).