4,4-dimethoxyhept-6-en-1-ynyl(trimethyl)silane

C12H22O2Si — CID 11817003

IUPAC4,4-dimethoxyhept-6-en-1-ynyl(trimethyl)silane
SMILESC=CCC(CC#C[Si](C)(C)C)(OC)OC
InChIInChI=1S/C12H22O2Si/c1-7-9-12(13-2,14-3)10-8-11-15(4,5)6/h7H,1,9-10H2,2-6H3
InChIKeyAZWMPGAXSOTMET-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.82
Rot. Bonds5

About 4,4-dimethoxyhept-6-en-1-ynyl(trimethyl)silane

4,4-dimethoxyhept-6-en-1-ynyl(trimethyl)silane (PubChem CID 11817003) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is 4,4-dimethoxyhept-6-en-1-ynyl(trimethyl)silane.

Molecular Properties

Compound Name4,4-dimethoxyhept-6-en-1-ynyl(trimethyl)silane
PubChem CID11817003
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name4,4-dimethoxyhept-6-en-1-ynyl(trimethyl)silane
SMILESC=CCC(CC#C[Si](C)(C)C)(OC)OC
InChIInChI=1S/C12H22O2Si/c1-7-9-12(13-2,14-3)10-8-11-15(4,5)6/h7H,1,9-10H2,2-6H3
InChIKeyAZWMPGAXSOTMET-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 4,4-dimethoxyhept-6-en-1-ynyl(trimethyl)silane?
The IUPAC name of 4,4-dimethoxyhept-6-en-1-ynyl(trimethyl)silane (CID 11817003) is 4,4-dimethoxyhept-6-en-1-ynyl(trimethyl)silane.
What is the SMILES notation for 4,4-dimethoxyhept-6-en-1-ynyl(trimethyl)silane?
The canonical SMILES for 4,4-dimethoxyhept-6-en-1-ynyl(trimethyl)silane is C=CCC(CC#C[Si](C)(C)C)(OC)OC.
What is the InChIKey of 4,4-dimethoxyhept-6-en-1-ynyl(trimethyl)silane?
The InChIKey is AZWMPGAXSOTMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-7-9-12(13-2,14-3)10-8-11-15(4,5)6/h7H,1,9-10H2,2-6H3.
What are the key properties of 4,4-dimethoxyhept-6-en-1-ynyl(trimethyl)silane?
4,4-dimethoxyhept-6-en-1-ynyl(trimethyl)silane has a molecular weight of 226.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxyhept-6-en-1-ynyl(trimethyl)silane is sourced from PubChem (CID 11817003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).