(E)-1-trimethylsilylhept-5-en-1-yn-4-ol

C10H18OSi — CID 13357612

IUPAC(E)-1-trimethylsilylhept-5-en-1-yn-4-ol
SMILESC/C=C/C(O)CC#C[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-5-7-10(11)8-6-9-12(2,3)4/h5,7,10-11H,8H2,1-4H3/b7-5+
InChIKeyYCCRZWXONVZWMD-FNORWQNLSA-N
MW182.34 g/mol
LogP2.19
Rot. Bonds2

About (E)-1-trimethylsilylhept-5-en-1-yn-4-ol

(E)-1-trimethylsilylhept-5-en-1-yn-4-ol (PubChem CID 13357612) has the molecular formula C10H18OSi and a molecular weight of 182.34 g/mol. Its IUPAC name is (E)-1-trimethylsilylhept-5-en-1-yn-4-ol.

Molecular Properties

Compound Name(E)-1-trimethylsilylhept-5-en-1-yn-4-ol
PubChem CID13357612
Molecular FormulaC10H18OSi
Molecular Weight182.34 g/mol
Exact Mass182.11
IUPAC Name(E)-1-trimethylsilylhept-5-en-1-yn-4-ol
SMILESC/C=C/C(O)CC#C[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-5-7-10(11)8-6-9-12(2,3)4/h5,7,10-11H,8H2,1-4H3/b7-5+
InChIKeyYCCRZWXONVZWMD-FNORWQNLSA-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(8E)-undeca-1,8-dien-5-yne-3,7-diol
CID 121232665
(E,8R)-dec-6-en-4-yne-1,8-diol
CID 162895421
(4R,5E)-trideca-1,5-dien-7,9-diyn-4-ol
CID 162905882
(E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
CID 10517217
(R)-2-((Trimethylsilyl)ethynyl)cyclopent-2-en-1-ol
CID 10932039
(E)-2-methyl-7-trimethylsilylhept-2-en-6-yn-1-ol
CID 134981587
(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)-1-trimethylsilylhept-5-en-1-yn-4-ol?
The IUPAC name of (E)-1-trimethylsilylhept-5-en-1-yn-4-ol (CID 13357612) is (E)-1-trimethylsilylhept-5-en-1-yn-4-ol.
What is the SMILES notation for (E)-1-trimethylsilylhept-5-en-1-yn-4-ol?
The canonical SMILES for (E)-1-trimethylsilylhept-5-en-1-yn-4-ol is C/C=C/C(O)CC#C[Si](C)(C)C.
What is the InChIKey of (E)-1-trimethylsilylhept-5-en-1-yn-4-ol?
The InChIKey is YCCRZWXONVZWMD-FNORWQNLSA-N. The full InChI is InChI=1S/C10H18OSi/c1-5-7-10(11)8-6-9-12(2,3)4/h5,7,10-11H,8H2,1-4H3/b7-5+.
What are the key properties of (E)-1-trimethylsilylhept-5-en-1-yn-4-ol?
(E)-1-trimethylsilylhept-5-en-1-yn-4-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)-1-trimethylsilylhept-5-en-1-yn-4-ol is sourced from PubChem (CID 13357612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).