(E)-5-ethylpentadec-2-en-4-one

C17H32O — CID 11687471

IUPAC(E)-5-ethylpentadec-2-en-4-one
SMILESC/C=C/C(=O)C(CC)CCCCCCCCCC
InChIInChI=1S/C17H32O/c1-4-7-8-9-10-11-12-13-15-16(6-3)17(18)14-5-2/h5,14,16H,4,6-13,15H2,1-3H3/b14-5+
InChIKeyOZIVVSOLXDKYGS-LHHJGKSTSA-N
MW252.44 g/mol
LogP5.69
Rot. Bonds12

About (E)-5-ethylpentadec-2-en-4-one

(E)-5-ethylpentadec-2-en-4-one (PubChem CID 11687471) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is (E)-5-ethylpentadec-2-en-4-one.

Molecular Properties

Compound Name(E)-5-ethylpentadec-2-en-4-one
PubChem CID11687471
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name(E)-5-ethylpentadec-2-en-4-one
SMILESC/C=C/C(=O)C(CC)CCCCCCCCCC
InChIInChI=1S/C17H32O/c1-4-7-8-9-10-11-12-13-15-16(6-3)17(18)14-5-2/h5,14,16H,4,6-13,15H2,1-3H3/b14-5+
InChIKeyOZIVVSOLXDKYGS-LHHJGKSTSA-N
XLogP5.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-7-ethylpentadec-4-en-6-one
CID 11673267
(E)-7-ethylheptadec-4-en-6-one
CID 11666320
7,10-diethylhexadecane-8,9-dione
CID 150805323
2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
(2R)-2-ethyldodecanoic acid
CID 98093060
(4S)-4-ethyldecan-3-one
CID 134895926
5-ethylundecan-4-one
CID 11687075
2-ethyldecanethioic S-acid
CID 20634435
azane;2-ethyldodecanamide
CID 174462460
ethyl 2-ethyldocosanoate
CID 175304380
potassium 2-ethyldodecanoate
CID 90238812
lithium 2-ethyloctanoate
CID 155386691

Frequently Asked Questions

What is the IUPAC name of (E)-5-ethylpentadec-2-en-4-one?
The IUPAC name of (E)-5-ethylpentadec-2-en-4-one (CID 11687471) is (E)-5-ethylpentadec-2-en-4-one.
What is the SMILES notation for (E)-5-ethylpentadec-2-en-4-one?
The canonical SMILES for (E)-5-ethylpentadec-2-en-4-one is C/C=C/C(=O)C(CC)CCCCCCCCCC.
What is the InChIKey of (E)-5-ethylpentadec-2-en-4-one?
The InChIKey is OZIVVSOLXDKYGS-LHHJGKSTSA-N. The full InChI is InChI=1S/C17H32O/c1-4-7-8-9-10-11-12-13-15-16(6-3)17(18)14-5-2/h5,14,16H,4,6-13,15H2,1-3H3/b14-5+.
What are the key properties of (E)-5-ethylpentadec-2-en-4-one?
(E)-5-ethylpentadec-2-en-4-one has a molecular weight of 252.44 g/mol, XLogP of 5.69, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-ethylpentadec-2-en-4-one is sourced from PubChem (CID 11687471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).