1,1-dimethyl-1-silacycloundec-6-yne

C12H22Si — CID 547766

IUPAC1,1-dimethyl-1-silacycloundec-6-yne
SMILESC[Si]1(C)CCCCC#CCCCC1
InChIInChI=1S/C12H22Si/c1-13(2)11-9-7-5-3-4-6-8-10-12-13/h5-12H2,1-2H3
InChIKeyCZCULPKIUGGTHG-UHFFFAOYSA-N
MW194.39 g/mol
LogP4.05
Rot. Bonds

About 1,1-dimethyl-1-silacycloundec-6-yne

1,1-dimethyl-1-silacycloundec-6-yne (PubChem CID 547766) has the molecular formula C12H22Si and a molecular weight of 194.39 g/mol. Its IUPAC name is 1,1-dimethyl-1-silacycloundec-6-yne.

Molecular Properties

Compound Name1,1-dimethyl-1-silacycloundec-6-yne
PubChem CID547766
Molecular FormulaC12H22Si
Molecular Weight194.39 g/mol
Exact Mass194.15
IUPAC Name1,1-dimethyl-1-silacycloundec-6-yne
SMILESC[Si]1(C)CCCCC#CCCCC1
InChIInChI=1S/C12H22Si/c1-13(2)11-9-7-5-3-4-6-8-10-12-13/h5-12H2,1-2H3
InChIKeyCZCULPKIUGGTHG-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-1-silacycloundec-6-yne?
The IUPAC name of 1,1-dimethyl-1-silacycloundec-6-yne (CID 547766) is 1,1-dimethyl-1-silacycloundec-6-yne.
What is the SMILES notation for 1,1-dimethyl-1-silacycloundec-6-yne?
The canonical SMILES for 1,1-dimethyl-1-silacycloundec-6-yne is C[Si]1(C)CCCCC#CCCCC1.
What is the InChIKey of 1,1-dimethyl-1-silacycloundec-6-yne?
The InChIKey is CZCULPKIUGGTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Si/c1-13(2)11-9-7-5-3-4-6-8-10-12-13/h5-12H2,1-2H3.
What are the key properties of 1,1-dimethyl-1-silacycloundec-6-yne?
1,1-dimethyl-1-silacycloundec-6-yne has a molecular weight of 194.39 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-1-silacycloundec-6-yne is sourced from PubChem (CID 547766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).