ethyl-dimethyl-oct-1-ynylsilane

C12H24Si — CID 134890582

IUPACethyl-dimethyl-oct-1-ynylsilane
SMILESCCCCCCC#C[Si](C)(C)CC
InChIInChI=1S/C12H24Si/c1-5-7-8-9-10-11-12-13(3,4)6-2/h5-10H2,1-4H3
InChIKeyZQIBMFFJUOQBTR-UHFFFAOYSA-N
MW196.41 g/mol
LogP4.23
Rot. Bonds5

About ethyl-dimethyl-oct-1-ynylsilane

ethyl-dimethyl-oct-1-ynylsilane (PubChem CID 134890582) has the molecular formula C12H24Si and a molecular weight of 196.41 g/mol. Its IUPAC name is ethyl-dimethyl-oct-1-ynylsilane.

Molecular Properties

Compound Nameethyl-dimethyl-oct-1-ynylsilane
PubChem CID134890582
Molecular FormulaC12H24Si
Molecular Weight196.41 g/mol
Exact Mass196.16
IUPAC Nameethyl-dimethyl-oct-1-ynylsilane
SMILESCCCCCCC#C[Si](C)(C)CC
InChIInChI=1S/C12H24Si/c1-5-7-8-9-10-11-12-13(3,4)6-2/h5-10H2,1-4H3
InChIKeyZQIBMFFJUOQBTR-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 ethyl-dimethyl-oct-1-ynylsilane?
The IUPAC name of ethyl-dimethyl-oct-1-ynylsilane (CID 134890582) is ethyl-dimethyl-oct-1-ynylsilane.
What is the SMILES notation for ethyl-dimethyl-oct-1-ynylsilane?
The canonical SMILES for ethyl-dimethyl-oct-1-ynylsilane is CCCCCCC#C[Si](C)(C)CC.
What is the InChIKey of ethyl-dimethyl-oct-1-ynylsilane?
The InChIKey is ZQIBMFFJUOQBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Si/c1-5-7-8-9-10-11-12-13(3,4)6-2/h5-10H2,1-4H3.
What are the key properties of ethyl-dimethyl-oct-1-ynylsilane?
ethyl-dimethyl-oct-1-ynylsilane has a molecular weight of 196.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-oct-1-ynylsilane is sourced from PubChem (CID 134890582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).