5-ethylpentadecan-6-one

C17H34O — CID 114966402

IUPAC5-ethylpentadecan-6-one
SMILESCCCCCCCCCC(=O)C(CC)CCCC
InChIInChI=1S/C17H34O/c1-4-7-9-10-11-12-13-15-17(18)16(6-3)14-8-5-2/h16H,4-15H2,1-3H3
InChIKeyMRLRWCUKTGVVGU-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.91
Rot. Bonds13

About 5-ethylpentadecan-6-one

5-ethylpentadecan-6-one (PubChem CID 114966402) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 5-ethylpentadecan-6-one.

Molecular Properties

Compound Name5-ethylpentadecan-6-one
PubChem CID114966402
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name5-ethylpentadecan-6-one
SMILESCCCCCCCCCC(=O)C(CC)CCCC
InChIInChI=1S/C17H34O/c1-4-7-9-10-11-12-13-15-17(18)16(6-3)14-8-5-2/h16H,4-15H2,1-3H3
InChIKeyMRLRWCUKTGVVGU-UHFFFAOYSA-N
XLogP5.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-ethylundecan-4-one
CID 11687075
3-(aminomethyl)hexadecan-4-one
CID 116575209
4-oxo-3-undecylheptadecanoic acid
CID 54465348
17-butyltritriacontane-16,18-dione
CID 173360243
(3S)-1-chloro-3-ethylheptan-2-one
CID 163500403
(4S)-4-ethyldecan-3-one
CID 134895926
2-ethylhexanoic acid;hexadecane
CID 174408772
(6R)-16-decyl-1-(dimethylamino)-6-ethylhexacosan-7-one
CID 88890446
(E)-7-ethylundec-2-en-6-one
CID 91694770
6-ethyl-2-methyl-5-oxodecanal
CID 170308949
acetic acid;dodecanoic acid;bis(2-ethylhexanoic acid)
CID 173429832
7,10-diethylhexadecane-8,9-dione
CID 150805323

Frequently Asked Questions

What is the IUPAC name of 5-ethylpentadecan-6-one?
The IUPAC name of 5-ethylpentadecan-6-one (CID 114966402) is 5-ethylpentadecan-6-one.
What is the SMILES notation for 5-ethylpentadecan-6-one?
The canonical SMILES for 5-ethylpentadecan-6-one is CCCCCCCCCC(=O)C(CC)CCCC.
What is the InChIKey of 5-ethylpentadecan-6-one?
The InChIKey is MRLRWCUKTGVVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-4-7-9-10-11-12-13-15-17(18)16(6-3)14-8-5-2/h16H,4-15H2,1-3H3.
What are the key properties of 5-ethylpentadecan-6-one?
5-ethylpentadecan-6-one has a molecular weight of 254.46 g/mol, XLogP of 5.91, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylpentadecan-6-one is sourced from PubChem (CID 114966402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).