(E)-7-ethylheptadec-4-en-6-one

C19H36O — CID 11666320

IUPAC(E)-7-ethylheptadec-4-en-6-one
SMILESCCC/C=C/C(=O)C(CC)CCCCCCCCCC
InChIInChI=1S/C19H36O/c1-4-7-9-10-11-12-13-15-16-18(6-3)19(20)17-14-8-5-2/h14,17-18H,4-13,15-16H2,1-3H3/b17-14+
InChIKeyMQNYJGKKAZCXOA-SAPNQHFASA-N
MW280.50 g/mol
LogP6.47
Rot. Bonds14

About (E)-7-ethylheptadec-4-en-6-one

(E)-7-ethylheptadec-4-en-6-one (PubChem CID 11666320) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is (E)-7-ethylheptadec-4-en-6-one.

Molecular Properties

Compound Name(E)-7-ethylheptadec-4-en-6-one
PubChem CID11666320
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name(E)-7-ethylheptadec-4-en-6-one
SMILESCCC/C=C/C(=O)C(CC)CCCCCCCCCC
InChIInChI=1S/C19H36O/c1-4-7-9-10-11-12-13-15-16-18(6-3)19(20)17-14-8-5-2/h14,17-18H,4-13,15-16H2,1-3H3/b17-14+
InChIKeyMQNYJGKKAZCXOA-SAPNQHFASA-N
XLogP6.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.47
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)-5-ethylpentadec-2-en-4-one
CID 11687471
methyl 2-hex-2-enoylnonanoate
CID 90844466
7,10-diethylhexadecane-8,9-dione
CID 150805323
2-ethyldocos-13-enamide
CID 173006662
2-ethyloctadec-9-enamide
CID 160810733
(4S)-4-ethyldecan-3-one
CID 134895926
2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
(2R)-2-ethyldodecanoic acid
CID 98093060
methyl (E)-9-(chloromethyl)-10-oxooctadec-11-enoate
CID 10689792
2-ethyldecanethioic S-acid
CID 20634435
5-ethylundecan-4-one
CID 11687075

Frequently Asked Questions

What is the IUPAC name of (E)-7-ethylheptadec-4-en-6-one?
The IUPAC name of (E)-7-ethylheptadec-4-en-6-one (CID 11666320) is (E)-7-ethylheptadec-4-en-6-one.
What is the SMILES notation for (E)-7-ethylheptadec-4-en-6-one?
The canonical SMILES for (E)-7-ethylheptadec-4-en-6-one is CCC/C=C/C(=O)C(CC)CCCCCCCCCC.
What is the InChIKey of (E)-7-ethylheptadec-4-en-6-one?
The InChIKey is MQNYJGKKAZCXOA-SAPNQHFASA-N. The full InChI is InChI=1S/C19H36O/c1-4-7-9-10-11-12-13-15-16-18(6-3)19(20)17-14-8-5-2/h14,17-18H,4-13,15-16H2,1-3H3/b17-14+.
What are the key properties of (E)-7-ethylheptadec-4-en-6-one?
(E)-7-ethylheptadec-4-en-6-one has a molecular weight of 280.50 g/mol, XLogP of 6.47, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-ethylheptadec-4-en-6-one is sourced from PubChem (CID 11666320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).