1-trimethylsilylhex-5-en-1-yn-3-ol

C9H16OSi — CID 11263728

IUPAC1-trimethylsilylhex-5-en-1-yn-3-ol
SMILESC=CCC(O)C#C[Si](C)(C)C
InChIInChI=1S/C9H16OSi/c1-5-6-9(10)7-8-11(2,3)4/h5,9-10H,1,6H2,2-4H3
InChIKeyKWSRALOFHCQQJR-UHFFFAOYSA-N
MW168.31 g/mol
LogP1.80
Rot. Bonds2

About 1-trimethylsilylhex-5-en-1-yn-3-ol

1-trimethylsilylhex-5-en-1-yn-3-ol (PubChem CID 11263728) has the molecular formula C9H16OSi and a molecular weight of 168.31 g/mol. Its IUPAC name is 1-trimethylsilylhex-5-en-1-yn-3-ol.

Molecular Properties

Compound Name1-trimethylsilylhex-5-en-1-yn-3-ol
PubChem CID11263728
Molecular FormulaC9H16OSi
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name1-trimethylsilylhex-5-en-1-yn-3-ol
SMILESC=CCC(O)C#C[Si](C)(C)C
InChIInChI=1S/C9H16OSi/c1-5-6-9(10)7-8-11(2,3)4/h5,9-10H,1,6H2,2-4H3
InChIKeyKWSRALOFHCQQJR-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 51.80
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

5-(Trimethylsilyl)pent-1-en-4-yn-3-ol
CID 19917033
(Z)-5-trimethylsilylpent-4-en-2-ol
CID 11480588
(E)-4-triethylsilylbut-3-en-1-ol
CID 10419938
1-Tri(propan-2-yl)silylhex-5-en-1-yn-3-ol
CID 10515006
(E)-6-trimethylsilylhex-5-en-3-ol
CID 10702355
(4S)-7-trimethylsilylhept-1-en-6-yn-4-ol
CID 10921159
1-Trimethylsilylhept-6-en-1-yn-3-ol
CID 11137772
(3S)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol
CID 11230515
(3R)-1-(Trimethylsilyl)-5-hexen-1-yn-3-ol
CID 11389632
(2R)-4-trimethylsilylpent-4-en-2-ol
CID 12789108
4-Trimethylsilylhex-5-en-3-ol
CID 12793718
(E)-6-trimethylsilylhex-5-en-3-yn-2-ol
CID 14742097

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylhex-5-en-1-yn-3-ol?
The IUPAC name of 1-trimethylsilylhex-5-en-1-yn-3-ol (CID 11263728) is 1-trimethylsilylhex-5-en-1-yn-3-ol.
What is the SMILES notation for 1-trimethylsilylhex-5-en-1-yn-3-ol?
The canonical SMILES for 1-trimethylsilylhex-5-en-1-yn-3-ol is C=CCC(O)C#C[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylhex-5-en-1-yn-3-ol?
The InChIKey is KWSRALOFHCQQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OSi/c1-5-6-9(10)7-8-11(2,3)4/h5,9-10H,1,6H2,2-4H3.
What are the key properties of 1-trimethylsilylhex-5-en-1-yn-3-ol?
1-trimethylsilylhex-5-en-1-yn-3-ol has a molecular weight of 168.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylhex-5-en-1-yn-3-ol is sourced from PubChem (CID 11263728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).