5,5-diethyl-2,2,3,3-tetramethylheptan-4-one

C15H30O — CID 27874

IUPAC5,5-diethyl-2,2,3,3-tetramethylheptan-4-one
SMILESCCC(CC)(CC)C(=O)C(C)(C)C(C)(C)C
InChIInChI=1S/C15H30O/c1-9-15(10-2,11-3)12(16)14(7,8)13(4,5)6/h9-11H2,1-8H3
InChIKeyBUAHEEAPBZIWMZ-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.84
Rot. Bonds5

About 5,5-diethyl-2,2,3,3-tetramethylheptan-4-one

5,5-diethyl-2,2,3,3-tetramethylheptan-4-one (PubChem CID 27874) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 5,5-diethyl-2,2,3,3-tetramethylheptan-4-one.

Molecular Properties

Compound Name5,5-diethyl-2,2,3,3-tetramethylheptan-4-one
PubChem CID27874
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name5,5-diethyl-2,2,3,3-tetramethylheptan-4-one
SMILESCCC(CC)(CC)C(=O)C(C)(C)C(C)(C)C
InChIInChI=1S/C15H30O/c1-9-15(10-2,11-3)12(16)14(7,8)13(4,5)6/h9-11H2,1-8H3
InChIKeyBUAHEEAPBZIWMZ-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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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Related Compounds

3,3,5,5-tetramethylheptan-4-one
CID 18520351
azane;2,2-diethylbutanoic acid
CID 173369262
acetic acid;2,2-diethylbutanoic acid
CID 162011618
2,2-diethyl-N-methylsilylbutanamide
CID 123632765
2,2-bis(hydroxymethyl)butanethioic S-acid
CID 139830400
2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid
CID 83694809
N,N,2,2-tetraethylbutanamide
CID 12732157
3,3-diethyl-4,4-dimethylpentan-2-one;ethane
CID 142252280
2-ethyl-2,3,3-trimethylbutanedioic acid
CID 54557426
1,1,1,3-tetrachloro-3-methylpentan-2-one
CID 151180426
3,3-diethyl-5-methylheptan-4-one
CID 13379790
3-ethyl-3,5,5-trimethylhexane-2,4-dione
CID 19371313

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2,2,3,3-tetramethylheptan-4-one?
The IUPAC name of 5,5-diethyl-2,2,3,3-tetramethylheptan-4-one (CID 27874) is 5,5-diethyl-2,2,3,3-tetramethylheptan-4-one.
What is the SMILES notation for 5,5-diethyl-2,2,3,3-tetramethylheptan-4-one?
The canonical SMILES for 5,5-diethyl-2,2,3,3-tetramethylheptan-4-one is CCC(CC)(CC)C(=O)C(C)(C)C(C)(C)C.
What is the InChIKey of 5,5-diethyl-2,2,3,3-tetramethylheptan-4-one?
The InChIKey is BUAHEEAPBZIWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-9-15(10-2,11-3)12(16)14(7,8)13(4,5)6/h9-11H2,1-8H3.
What are the key properties of 5,5-diethyl-2,2,3,3-tetramethylheptan-4-one?
5,5-diethyl-2,2,3,3-tetramethylheptan-4-one has a molecular weight of 226.40 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2,2,3,3-tetramethylheptan-4-one is sourced from PubChem (CID 27874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).