(E,3S)-7-trimethylsilylhept-4-en-6-yn-3-ol

C10H18OSi — CID 124705723

IUPAC(E,3S)-7-trimethylsilylhept-4-en-6-yn-3-ol
SMILESCC[C@H](O)/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-5-10(11)8-6-7-9-12(2,3)4/h6,8,10-11H,5H2,1-4H3/b8-6+/t10-/m0/s1
InChIKeyNIAIYXCEBFOTTH-PCGIRMHASA-N
MW182.34 g/mol
LogP2.19
Rot. Bonds2

About (E,3S)-7-trimethylsilylhept-4-en-6-yn-3-ol

(E,3S)-7-trimethylsilylhept-4-en-6-yn-3-ol (PubChem CID 124705723) has the molecular formula C10H18OSi and a molecular weight of 182.34 g/mol. Its IUPAC name is (E,3S)-7-trimethylsilylhept-4-en-6-yn-3-ol.

Molecular Properties

Compound Name(E,3S)-7-trimethylsilylhept-4-en-6-yn-3-ol
PubChem CID124705723
Molecular FormulaC10H18OSi
Molecular Weight182.34 g/mol
Exact Mass182.11
IUPAC Name(E,3S)-7-trimethylsilylhept-4-en-6-yn-3-ol
SMILESCC[C@H](O)/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-5-10(11)8-6-7-9-12(2,3)4/h6,8,10-11H,5H2,1-4H3/b8-6+/t10-/m0/s1
InChIKeyNIAIYXCEBFOTTH-PCGIRMHASA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
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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Related Compounds

(E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
CID 10517217
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 12194985
(E)-2-methyl-7-trimethylsilylhept-2-en-6-yn-1-ol
CID 134981587
(E)-dodec-4-en-6,8,10-triyn-3-ol
CID 23189397
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 10488936
(Z)-2-ethyl-5-trimethylsilylpent-2-en-4-yn-1-ol
CID 10749960
(Z)-8-trimethylsilyloct-5-en-7-yn-4-ol
CID 10797972
(5E)-3-trimethylsilylhepta-1,2,5-trien-4-ol
CID 11137773
(E,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol
CID 11355705
(E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol
CID 11674197
(1E,5E)-1-trimethylsilylhepta-1,5-dien-4-ol
CID 12715341
(Z,2R)-3-trimethylsilyloct-3-en-2-ol
CID 12846918

Frequently Asked Questions

What is the IUPAC name of (E,3S)-7-trimethylsilylhept-4-en-6-yn-3-ol?
The IUPAC name of (E,3S)-7-trimethylsilylhept-4-en-6-yn-3-ol (CID 124705723) is (E,3S)-7-trimethylsilylhept-4-en-6-yn-3-ol.
What is the SMILES notation for (E,3S)-7-trimethylsilylhept-4-en-6-yn-3-ol?
The canonical SMILES for (E,3S)-7-trimethylsilylhept-4-en-6-yn-3-ol is CC[C@H](O)/C=C/C#C[Si](C)(C)C.
What is the InChIKey of (E,3S)-7-trimethylsilylhept-4-en-6-yn-3-ol?
The InChIKey is NIAIYXCEBFOTTH-PCGIRMHASA-N. The full InChI is InChI=1S/C10H18OSi/c1-5-10(11)8-6-7-9-12(2,3)4/h6,8,10-11H,5H2,1-4H3/b8-6+/t10-/m0/s1.
What are the key properties of (E,3S)-7-trimethylsilylhept-4-en-6-yn-3-ol?
(E,3S)-7-trimethylsilylhept-4-en-6-yn-3-ol has a molecular weight of 182.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-7-trimethylsilylhept-4-en-6-yn-3-ol is sourced from PubChem (CID 124705723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).