4-ethyl-5,5,7,7-tetramethylnonan-2-one

C15H30O — CID 123242670

IUPAC4-ethyl-5,5,7,7-tetramethylnonan-2-one
SMILESCCC(CC(C)=O)C(C)(C)CC(C)(C)CC
InChIInChI=1S/C15H30O/c1-8-13(10-12(3)16)15(6,7)11-14(4,5)9-2/h13H,8-11H2,1-7H3
InChIKeyLTHDTDUBULDMKU-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.84
Rot. Bonds7

About 4-ethyl-5,5,7,7-tetramethylnonan-2-one

4-ethyl-5,5,7,7-tetramethylnonan-2-one (PubChem CID 123242670) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 4-ethyl-5,5,7,7-tetramethylnonan-2-one.

Molecular Properties

Compound Name4-ethyl-5,5,7,7-tetramethylnonan-2-one
PubChem CID123242670
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name4-ethyl-5,5,7,7-tetramethylnonan-2-one
SMILESCCC(CC(C)=O)C(C)(C)CC(C)(C)CC
InChIInChI=1S/C15H30O/c1-8-13(10-12(3)16)15(6,7)11-14(4,5)9-2/h13H,8-11H2,1-7H3
InChIKeyLTHDTDUBULDMKU-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5,5,7,7-tetramethylnonan-2-one?
The IUPAC name of 4-ethyl-5,5,7,7-tetramethylnonan-2-one (CID 123242670) is 4-ethyl-5,5,7,7-tetramethylnonan-2-one.
What is the SMILES notation for 4-ethyl-5,5,7,7-tetramethylnonan-2-one?
The canonical SMILES for 4-ethyl-5,5,7,7-tetramethylnonan-2-one is CCC(CC(C)=O)C(C)(C)CC(C)(C)CC.
What is the InChIKey of 4-ethyl-5,5,7,7-tetramethylnonan-2-one?
The InChIKey is LTHDTDUBULDMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-8-13(10-12(3)16)15(6,7)11-14(4,5)9-2/h13H,8-11H2,1-7H3.
What are the key properties of 4-ethyl-5,5,7,7-tetramethylnonan-2-one?
4-ethyl-5,5,7,7-tetramethylnonan-2-one has a molecular weight of 226.40 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5,5,7,7-tetramethylnonan-2-one is sourced from PubChem (CID 123242670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).