4-methyl-1-tris(prop-2-enyl)silyloct-1-yn-4-ol

C18H30OSi — CID 88828758

IUPAC4-methyl-1-tris(prop-2-enyl)silyloct-1-yn-4-ol
SMILESC=CC[Si](C#CCC(C)(O)CCCC)(CC=C)CC=C
InChIInChI=1S/C18H30OSi/c1-6-10-12-18(5,19)13-11-17-20(14-7-2,15-8-3)16-9-4/h7-9,19H,2-4,6,10,12-16H2,1,5H3
InChIKeyCNKFUOAHVIWFLI-UHFFFAOYSA-N
MW290.52 g/mol
LogP4.87
Rot. Bonds10

About 4-methyl-1-tris(prop-2-enyl)silyloct-1-yn-4-ol

4-methyl-1-tris(prop-2-enyl)silyloct-1-yn-4-ol (PubChem CID 88828758) has the molecular formula C18H30OSi and a molecular weight of 290.52 g/mol. Its IUPAC name is 4-methyl-1-tris(prop-2-enyl)silyloct-1-yn-4-ol.

Molecular Properties

Compound Name4-methyl-1-tris(prop-2-enyl)silyloct-1-yn-4-ol
PubChem CID88828758
Molecular FormulaC18H30OSi
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Name4-methyl-1-tris(prop-2-enyl)silyloct-1-yn-4-ol
SMILESC=CC[Si](C#CCC(C)(O)CCCC)(CC=C)CC=C
InChIInChI=1S/C18H30OSi/c1-6-10-12-18(5,19)13-11-17-20(14-7-2,15-8-3)16-9-4/h7-9,19H,2-4,6,10,12-16H2,1,5H3
InChIKeyCNKFUOAHVIWFLI-UHFFFAOYSA-N
XLogP4.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.52
LogP ≤ 54.87
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-tris(prop-2-enyl)silyloct-1-yn-4-ol?
The IUPAC name of 4-methyl-1-tris(prop-2-enyl)silyloct-1-yn-4-ol (CID 88828758) is 4-methyl-1-tris(prop-2-enyl)silyloct-1-yn-4-ol.
What is the SMILES notation for 4-methyl-1-tris(prop-2-enyl)silyloct-1-yn-4-ol?
The canonical SMILES for 4-methyl-1-tris(prop-2-enyl)silyloct-1-yn-4-ol is C=CC[Si](C#CCC(C)(O)CCCC)(CC=C)CC=C.
What is the InChIKey of 4-methyl-1-tris(prop-2-enyl)silyloct-1-yn-4-ol?
The InChIKey is CNKFUOAHVIWFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30OSi/c1-6-10-12-18(5,19)13-11-17-20(14-7-2,15-8-3)16-9-4/h7-9,19H,2-4,6,10,12-16H2,1,5H3.
What are the key properties of 4-methyl-1-tris(prop-2-enyl)silyloct-1-yn-4-ol?
4-methyl-1-tris(prop-2-enyl)silyloct-1-yn-4-ol has a molecular weight of 290.52 g/mol, XLogP of 4.87, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-tris(prop-2-enyl)silyloct-1-yn-4-ol is sourced from PubChem (CID 88828758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).