ethane;1-[5-[ethyl(dimethyl)silyl]-2,4-dimethyl-2H-pyridin-1-yl]ethanone

C15H29NOSi — CID 91402301

IUPACethane;1-[5-[ethyl(dimethyl)silyl]-2,4-dimethyl-2H-pyridin-1-yl]ethanone
SMILESCC.CC[Si](C)(C)C1=CN(C(C)=O)C(C)C=C1C
InChIInChI=1S/C13H23NOSi.C2H6/c1-7-16(5,6)13-9-14(12(4)15)11(3)8-10(13)2;1-2/h8-9,11H,7H2,1-6H3;1-2H3
InChIKeySWBWZGVCQBZMHK-UHFFFAOYSA-N
MW267.49 g/mol
LogP4.36
Rot. Bonds2

About ethane;1-[5-[ethyl(dimethyl)silyl]-2,4-dimethyl-2H-pyridin-1-yl]ethanone

ethane;1-[5-[ethyl(dimethyl)silyl]-2,4-dimethyl-2H-pyridin-1-yl]ethanone (PubChem CID 91402301) has the molecular formula C15H29NOSi and a molecular weight of 267.49 g/mol. Its IUPAC name is ethane;1-[5-[ethyl(dimethyl)silyl]-2,4-dimethyl-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[5-[ethyl(dimethyl)silyl]-2,4-dimethyl-2H-pyridin-1-yl]ethanone
PubChem CID91402301
Molecular FormulaC15H29NOSi
Molecular Weight267.49 g/mol
Exact Mass267.20
IUPAC Nameethane;1-[5-[ethyl(dimethyl)silyl]-2,4-dimethyl-2H-pyridin-1-yl]ethanone
SMILESCC.CC[Si](C)(C)C1=CN(C(C)=O)C(C)C=C1C
InChIInChI=1S/C13H23NOSi.C2H6/c1-7-16(5,6)13-9-14(12(4)15)11(3)8-10(13)2;1-2/h8-9,11H,7H2,1-6H3;1-2H3
InChIKeySWBWZGVCQBZMHK-UHFFFAOYSA-N
XLogP4.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.49
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[5-[ethyl(dimethyl)silyl]-2,4-dimethyl-2H-pyridin-1-yl]ethanone?
The IUPAC name of ethane;1-[5-[ethyl(dimethyl)silyl]-2,4-dimethyl-2H-pyridin-1-yl]ethanone (CID 91402301) is ethane;1-[5-[ethyl(dimethyl)silyl]-2,4-dimethyl-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[5-[ethyl(dimethyl)silyl]-2,4-dimethyl-2H-pyridin-1-yl]ethanone?
The canonical SMILES for ethane;1-[5-[ethyl(dimethyl)silyl]-2,4-dimethyl-2H-pyridin-1-yl]ethanone is CC.CC[Si](C)(C)C1=CN(C(C)=O)C(C)C=C1C.
What is the InChIKey of ethane;1-[5-[ethyl(dimethyl)silyl]-2,4-dimethyl-2H-pyridin-1-yl]ethanone?
The InChIKey is SWBWZGVCQBZMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOSi.C2H6/c1-7-16(5,6)13-9-14(12(4)15)11(3)8-10(13)2;1-2/h8-9,11H,7H2,1-6H3;1-2H3.
What are the key properties of ethane;1-[5-[ethyl(dimethyl)silyl]-2,4-dimethyl-2H-pyridin-1-yl]ethanone?
ethane;1-[5-[ethyl(dimethyl)silyl]-2,4-dimethyl-2H-pyridin-1-yl]ethanone has a molecular weight of 267.49 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[5-[ethyl(dimethyl)silyl]-2,4-dimethyl-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 91402301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).