5-ethylpentadecane-2,4-dione

C17H32O2 — CID 11715963

IUPAC5-ethylpentadecane-2,4-dione
SMILESCCCCCCCCCCC(CC)C(=O)CC(C)=O
InChIInChI=1S/C17H32O2/c1-4-6-7-8-9-10-11-12-13-16(5-2)17(19)14-15(3)18/h16H,4-14H2,1-3H3
InChIKeyUWJUDBRYYHRLAO-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.09
Rot. Bonds13

About 5-ethylpentadecane-2,4-dione

5-ethylpentadecane-2,4-dione (PubChem CID 11715963) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 5-ethylpentadecane-2,4-dione.

Molecular Properties

Compound Name5-ethylpentadecane-2,4-dione
PubChem CID11715963
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name5-ethylpentadecane-2,4-dione
SMILESCCCCCCCCCCC(CC)C(=O)CC(C)=O
InChIInChI=1S/C17H32O2/c1-4-6-7-8-9-10-11-12-13-16(5-2)17(19)14-15(3)18/h16H,4-14H2,1-3H3
InChIKeyUWJUDBRYYHRLAO-UHFFFAOYSA-N
XLogP5.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-ethyldecan-3-one
CID 134895926
5-ethylundecan-4-one
CID 11687075
7,10-diethylhexadecane-8,9-dione
CID 150805323
2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
(2R)-2-ethyldodecanoic acid
CID 98093060
3-pentylnonan-2-one
CID 21290467
6-heptyltetradecane-2,5-dione
CID 129213457
2-ethyl-N-methyltetradecanamide
CID 161072731
benzene;pentakis(4-ethylheptadecan-3-one)
CID 173426558
6-ethyl-2-methyldecane-3,5-dione
CID 158922502
5-ethylpentadecan-6-one
CID 114966402
2-ethyldecanethioic S-acid
CID 20634435

Frequently Asked Questions

What is the IUPAC name of 5-ethylpentadecane-2,4-dione?
The IUPAC name of 5-ethylpentadecane-2,4-dione (CID 11715963) is 5-ethylpentadecane-2,4-dione.
What is the SMILES notation for 5-ethylpentadecane-2,4-dione?
The canonical SMILES for 5-ethylpentadecane-2,4-dione is CCCCCCCCCCC(CC)C(=O)CC(C)=O.
What is the InChIKey of 5-ethylpentadecane-2,4-dione?
The InChIKey is UWJUDBRYYHRLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-4-6-7-8-9-10-11-12-13-16(5-2)17(19)14-15(3)18/h16H,4-14H2,1-3H3.
What are the key properties of 5-ethylpentadecane-2,4-dione?
5-ethylpentadecane-2,4-dione has a molecular weight of 268.44 g/mol, XLogP of 5.09, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylpentadecane-2,4-dione is sourced from PubChem (CID 11715963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).