1-bicyclo[3.1.0]hexanyloxy-tert-butyl-dimethylsilane;but-1-yne

C16H30OSi — CID 88516759

IUPAC1-bicyclo[3.1.0]hexanyloxy-tert-butyl-dimethylsilane;but-1-yne
SMILESC#CCC.CC(C)(C)[Si](C)(C)OC12CCCC1C2
InChIInChI=1S/C12H24OSi.C4H6/c1-11(2,3)14(4,5)13-12-8-6-7-10(12)9-12;1-3-4-2/h10H,6-9H2,1-5H3;1H,4H2,2H3
InChIKeyRYXVFYIEMZIZIT-UHFFFAOYSA-N
MW266.50 g/mol
LogP4.98
Rot. Bonds2

About 1-bicyclo[3.1.0]hexanyloxy-tert-butyl-dimethylsilane;but-1-yne

1-bicyclo[3.1.0]hexanyloxy-tert-butyl-dimethylsilane;but-1-yne (PubChem CID 88516759) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is 1-bicyclo[3.1.0]hexanyloxy-tert-butyl-dimethylsilane;but-1-yne.

Molecular Properties

Compound Name1-bicyclo[3.1.0]hexanyloxy-tert-butyl-dimethylsilane;but-1-yne
PubChem CID88516759
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name1-bicyclo[3.1.0]hexanyloxy-tert-butyl-dimethylsilane;but-1-yne
SMILESC#CCC.CC(C)(C)[Si](C)(C)OC12CCCC1C2
InChIInChI=1S/C12H24OSi.C4H6/c1-11(2,3)14(4,5)13-12-8-6-7-10(12)9-12;1-3-4-2/h10H,6-9H2,1-5H3;1H,4H2,2H3
InChIKeyRYXVFYIEMZIZIT-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-bicyclo[3.1.0]hexanyloxy-tert-butyl-dimethylsilane;but-1-yne?
The IUPAC name of 1-bicyclo[3.1.0]hexanyloxy-tert-butyl-dimethylsilane;but-1-yne (CID 88516759) is 1-bicyclo[3.1.0]hexanyloxy-tert-butyl-dimethylsilane;but-1-yne.
What is the SMILES notation for 1-bicyclo[3.1.0]hexanyloxy-tert-butyl-dimethylsilane;but-1-yne?
The canonical SMILES for 1-bicyclo[3.1.0]hexanyloxy-tert-butyl-dimethylsilane;but-1-yne is C#CCC.CC(C)(C)[Si](C)(C)OC12CCCC1C2.
What is the InChIKey of 1-bicyclo[3.1.0]hexanyloxy-tert-butyl-dimethylsilane;but-1-yne?
The InChIKey is RYXVFYIEMZIZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi.C4H6/c1-11(2,3)14(4,5)13-12-8-6-7-10(12)9-12;1-3-4-2/h10H,6-9H2,1-5H3;1H,4H2,2H3.
What are the key properties of 1-bicyclo[3.1.0]hexanyloxy-tert-butyl-dimethylsilane;but-1-yne?
1-bicyclo[3.1.0]hexanyloxy-tert-butyl-dimethylsilane;but-1-yne has a molecular weight of 266.50 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[3.1.0]hexanyloxy-tert-butyl-dimethylsilane;but-1-yne is sourced from PubChem (CID 88516759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).