butyl-[(3S)-hept-1-en-6-yn-3-yl]oxy-dimethylsilane

C13H24OSi — CID 87408309

IUPACbutyl-[(3S)-hept-1-en-6-yn-3-yl]oxy-dimethylsilane
SMILESC#CCC[C@@H](C=C)O[Si](C)(C)CCCC
InChIInChI=1S/C13H24OSi/c1-6-9-11-13(8-3)14-15(4,5)12-10-7-2/h1,8,13H,3,7,9-12H2,2,4-5H3/t13-/m1/s1
InChIKeyBOFPLLVYAYWXKH-CYBMUJFWSA-N
MW224.42 g/mol
LogP3.98
Rot. Bonds8

About butyl-[(3S)-hept-1-en-6-yn-3-yl]oxy-dimethylsilane

butyl-[(3S)-hept-1-en-6-yn-3-yl]oxy-dimethylsilane (PubChem CID 87408309) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is butyl-[(3S)-hept-1-en-6-yn-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Namebutyl-[(3S)-hept-1-en-6-yn-3-yl]oxy-dimethylsilane
PubChem CID87408309
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Namebutyl-[(3S)-hept-1-en-6-yn-3-yl]oxy-dimethylsilane
SMILESC#CCC[C@@H](C=C)O[Si](C)(C)CCCC
InChIInChI=1S/C13H24OSi/c1-6-9-11-13(8-3)14-15(4,5)12-10-7-2/h1,8,13H,3,7,9-12H2,2,4-5H3/t13-/m1/s1
InChIKeyBOFPLLVYAYWXKH-CYBMUJFWSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl-[(3S)-hept-1-en-6-yn-3-yl]oxy-dimethylsilane?
The IUPAC name of butyl-[(3S)-hept-1-en-6-yn-3-yl]oxy-dimethylsilane (CID 87408309) is butyl-[(3S)-hept-1-en-6-yn-3-yl]oxy-dimethylsilane.
What is the SMILES notation for butyl-[(3S)-hept-1-en-6-yn-3-yl]oxy-dimethylsilane?
The canonical SMILES for butyl-[(3S)-hept-1-en-6-yn-3-yl]oxy-dimethylsilane is C#CCC[C@@H](C=C)O[Si](C)(C)CCCC.
What is the InChIKey of butyl-[(3S)-hept-1-en-6-yn-3-yl]oxy-dimethylsilane?
The InChIKey is BOFPLLVYAYWXKH-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H24OSi/c1-6-9-11-13(8-3)14-15(4,5)12-10-7-2/h1,8,13H,3,7,9-12H2,2,4-5H3/t13-/m1/s1.
What are the key properties of butyl-[(3S)-hept-1-en-6-yn-3-yl]oxy-dimethylsilane?
butyl-[(3S)-hept-1-en-6-yn-3-yl]oxy-dimethylsilane has a molecular weight of 224.42 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[(3S)-hept-1-en-6-yn-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 87408309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).