(3S)-1-trimethylsilyloct-7-en-1-yn-3-ol

C11H20OSi — CID 102063168

IUPAC(3S)-1-trimethylsilyloct-7-en-1-yn-3-ol
SMILESC=CCCC[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-5-6-7-8-11(12)9-10-13(2,3)4/h5,11-12H,1,6-8H2,2-4H3/t11-/m0/s1
InChIKeyGLKPYGFLACXXLS-NSHDSACASA-N
MW196.37 g/mol
LogP2.58
Rot. Bonds4

About (3S)-1-trimethylsilyloct-7-en-1-yn-3-ol

(3S)-1-trimethylsilyloct-7-en-1-yn-3-ol (PubChem CID 102063168) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is (3S)-1-trimethylsilyloct-7-en-1-yn-3-ol.

Molecular Properties

Compound Name(3S)-1-trimethylsilyloct-7-en-1-yn-3-ol
PubChem CID102063168
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name(3S)-1-trimethylsilyloct-7-en-1-yn-3-ol
SMILESC=CCCC[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-5-6-7-8-11(12)9-10-13(2,3)4/h5,11-12H,1,6-8H2,2-4H3/t11-/m0/s1
InChIKeyGLKPYGFLACXXLS-NSHDSACASA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

(3S)-1-trimethylsilylhept-1-yn-3-ol
CID 12623486
(3R)-1-trimethylsilylpentadec-1-yn-3-ol
CID 10946406
(3S)-1-trimethylsilylpentadec-1-yn-3-ol
CID 11449349
(E,3R)-1-trimethylsilyldocos-13-en-1-yn-3-ol
CID 102332031
(3S,4S)-1-trimethylsilylhept-6-en-1-yne-3,4-diol
CID 102124553
1-trimethylsilylnona-1,7-diyn-3-ol
CID 121009157
(4S)-1-trimethylsilyldec-9-en-1-yn-4-ol
CID 11736254
(2R)-2-hydroxyhept-6-enenitrile
CID 10654227
6-hydroxy-8-trimethylsilyloct-7-ynoic acid
CID 174052538
(3S)-1-trimethylsilyldocosa-1,13-diyn-3-ol
CID 102332029
(3R)-1-trimethylsilylhepta-1,6-diyn-3-ol
CID 124706922
heptadec-16-en-4,6-diyn-8-ol
CID 162872076

Frequently Asked Questions

What is the IUPAC name of (3S)-1-trimethylsilyloct-7-en-1-yn-3-ol?
The IUPAC name of (3S)-1-trimethylsilyloct-7-en-1-yn-3-ol (CID 102063168) is (3S)-1-trimethylsilyloct-7-en-1-yn-3-ol.
What is the SMILES notation for (3S)-1-trimethylsilyloct-7-en-1-yn-3-ol?
The canonical SMILES for (3S)-1-trimethylsilyloct-7-en-1-yn-3-ol is C=CCCC[C@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (3S)-1-trimethylsilyloct-7-en-1-yn-3-ol?
The InChIKey is GLKPYGFLACXXLS-NSHDSACASA-N. The full InChI is InChI=1S/C11H20OSi/c1-5-6-7-8-11(12)9-10-13(2,3)4/h5,11-12H,1,6-8H2,2-4H3/t11-/m0/s1.
What are the key properties of (3S)-1-trimethylsilyloct-7-en-1-yn-3-ol?
(3S)-1-trimethylsilyloct-7-en-1-yn-3-ol has a molecular weight of 196.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-trimethylsilyloct-7-en-1-yn-3-ol is sourced from PubChem (CID 102063168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).