3-methoxyoct-7-en-1-ynyl(trimethyl)silane

C12H22OSi — CID 10082047

IUPAC3-methoxyoct-7-en-1-ynyl(trimethyl)silane
SMILESC=CCCCC(C#C[Si](C)(C)C)OC
InChIInChI=1S/C12H22OSi/c1-6-7-8-9-12(13-2)10-11-14(3,4)5/h6,12H,1,7-9H2,2-5H3
InChIKeyOWRFZTGRUWEVOC-UHFFFAOYSA-N
MW210.39 g/mol
LogP3.24
Rot. Bonds5

About 3-methoxyoct-7-en-1-ynyl(trimethyl)silane

3-methoxyoct-7-en-1-ynyl(trimethyl)silane (PubChem CID 10082047) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is 3-methoxyoct-7-en-1-ynyl(trimethyl)silane.

Molecular Properties

Compound Name3-methoxyoct-7-en-1-ynyl(trimethyl)silane
PubChem CID10082047
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name3-methoxyoct-7-en-1-ynyl(trimethyl)silane
SMILESC=CCCCC(C#C[Si](C)(C)C)OC
InChIInChI=1S/C12H22OSi/c1-6-7-8-9-12(13-2)10-11-14(3,4)5/h6,12H,1,7-9H2,2-5H3
InChIKeyOWRFZTGRUWEVOC-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 3-methoxyoct-7-en-1-ynyl(trimethyl)silane?
The IUPAC name of 3-methoxyoct-7-en-1-ynyl(trimethyl)silane (CID 10082047) is 3-methoxyoct-7-en-1-ynyl(trimethyl)silane.
What is the SMILES notation for 3-methoxyoct-7-en-1-ynyl(trimethyl)silane?
The canonical SMILES for 3-methoxyoct-7-en-1-ynyl(trimethyl)silane is C=CCCCC(C#C[Si](C)(C)C)OC.
What is the InChIKey of 3-methoxyoct-7-en-1-ynyl(trimethyl)silane?
The InChIKey is OWRFZTGRUWEVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OSi/c1-6-7-8-9-12(13-2)10-11-14(3,4)5/h6,12H,1,7-9H2,2-5H3.
What are the key properties of 3-methoxyoct-7-en-1-ynyl(trimethyl)silane?
3-methoxyoct-7-en-1-ynyl(trimethyl)silane has a molecular weight of 210.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyoct-7-en-1-ynyl(trimethyl)silane is sourced from PubChem (CID 10082047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).