7-bromooct-7-en-1-yn-4-yloxy-tert-butyl-dimethylsilane

C14H25BrOSi — CID 11023533

IUPAC7-bromooct-7-en-1-yn-4-yloxy-tert-butyl-dimethylsilane
SMILESC#CCC(CCC(=C)Br)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H25BrOSi/c1-8-9-13(11-10-12(2)15)16-17(6,7)14(3,4)5/h1,13H,2,9-11H2,3-7H3
InChIKeyLAVNXDYIDADEBR-UHFFFAOYSA-N
MW317.34 g/mol
LogP5.09
Rot. Bonds6

About 7-bromooct-7-en-1-yn-4-yloxy-tert-butyl-dimethylsilane

7-bromooct-7-en-1-yn-4-yloxy-tert-butyl-dimethylsilane (PubChem CID 11023533) has the molecular formula C14H25BrOSi and a molecular weight of 317.34 g/mol. Its IUPAC name is 7-bromooct-7-en-1-yn-4-yloxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name7-bromooct-7-en-1-yn-4-yloxy-tert-butyl-dimethylsilane
PubChem CID11023533
Molecular FormulaC14H25BrOSi
Molecular Weight317.34 g/mol
Exact Mass316.09
IUPAC Name7-bromooct-7-en-1-yn-4-yloxy-tert-butyl-dimethylsilane
SMILESC#CCC(CCC(=C)Br)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H25BrOSi/c1-8-9-13(11-10-12(2)15)16-17(6,7)14(3,4)5/h1,13H,2,9-11H2,3-7H3
InChIKeyLAVNXDYIDADEBR-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.34
LogP ≤ 55.09
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 7-bromooct-7-en-1-yn-4-yloxy-tert-butyl-dimethylsilane?
The IUPAC name of 7-bromooct-7-en-1-yn-4-yloxy-tert-butyl-dimethylsilane (CID 11023533) is 7-bromooct-7-en-1-yn-4-yloxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 7-bromooct-7-en-1-yn-4-yloxy-tert-butyl-dimethylsilane?
The canonical SMILES for 7-bromooct-7-en-1-yn-4-yloxy-tert-butyl-dimethylsilane is C#CCC(CCC(=C)Br)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 7-bromooct-7-en-1-yn-4-yloxy-tert-butyl-dimethylsilane?
The InChIKey is LAVNXDYIDADEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrOSi/c1-8-9-13(11-10-12(2)15)16-17(6,7)14(3,4)5/h1,13H,2,9-11H2,3-7H3.
What are the key properties of 7-bromooct-7-en-1-yn-4-yloxy-tert-butyl-dimethylsilane?
7-bromooct-7-en-1-yn-4-yloxy-tert-butyl-dimethylsilane has a molecular weight of 317.34 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromooct-7-en-1-yn-4-yloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11023533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).