3,7-dimethyl-1-trimethylsilyloct-6-en-1-yn-3-ol

C13H24OSi — CID 12696501

IUPAC3,7-dimethyl-1-trimethylsilyloct-6-en-1-yn-3-ol
SMILESCC(C)=CCCC(C)(O)C#C[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-12(2)8-7-9-13(3,14)10-11-15(4,5)6/h8,14H,7,9H2,1-6H3
InChIKeyKCBRLSJXCOJNBX-UHFFFAOYSA-N
MW224.42 g/mol
LogP3.36
Rot. Bonds3

About 3,7-dimethyl-1-trimethylsilyloct-6-en-1-yn-3-ol

3,7-dimethyl-1-trimethylsilyloct-6-en-1-yn-3-ol (PubChem CID 12696501) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is 3,7-dimethyl-1-trimethylsilyloct-6-en-1-yn-3-ol.

Molecular Properties

Compound Name3,7-dimethyl-1-trimethylsilyloct-6-en-1-yn-3-ol
PubChem CID12696501
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name3,7-dimethyl-1-trimethylsilyloct-6-en-1-yn-3-ol
SMILESCC(C)=CCCC(C)(O)C#C[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-12(2)8-7-9-13(3,14)10-11-15(4,5)6/h8,14H,7,9H2,1-6H3
InChIKeyKCBRLSJXCOJNBX-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.36
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 3,7-dimethyl-1-trimethylsilyloct-6-en-1-yn-3-ol?
The IUPAC name of 3,7-dimethyl-1-trimethylsilyloct-6-en-1-yn-3-ol (CID 12696501) is 3,7-dimethyl-1-trimethylsilyloct-6-en-1-yn-3-ol.
What is the SMILES notation for 3,7-dimethyl-1-trimethylsilyloct-6-en-1-yn-3-ol?
The canonical SMILES for 3,7-dimethyl-1-trimethylsilyloct-6-en-1-yn-3-ol is CC(C)=CCCC(C)(O)C#C[Si](C)(C)C.
What is the InChIKey of 3,7-dimethyl-1-trimethylsilyloct-6-en-1-yn-3-ol?
The InChIKey is KCBRLSJXCOJNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-12(2)8-7-9-13(3,14)10-11-15(4,5)6/h8,14H,7,9H2,1-6H3.
What are the key properties of 3,7-dimethyl-1-trimethylsilyloct-6-en-1-yn-3-ol?
3,7-dimethyl-1-trimethylsilyloct-6-en-1-yn-3-ol has a molecular weight of 224.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-trimethylsilyloct-6-en-1-yn-3-ol is sourced from PubChem (CID 12696501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).