4-ethyl-5-methylhept-5-en-3-one

C10H18O — CID 131227895

IUPAC4-ethyl-5-methylhept-5-en-3-one
SMILESCC=C(C)C(CC)C(=O)CC
InChIInChI=1S/C10H18O/c1-5-8(4)9(6-2)10(11)7-3/h5,9H,6-7H2,1-4H3
InChIKeyWFIQJQXEBFDHTH-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.96
Rot. Bonds4

About 4-ethyl-5-methylhept-5-en-3-one

4-ethyl-5-methylhept-5-en-3-one (PubChem CID 131227895) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4-ethyl-5-methylhept-5-en-3-one.

Molecular Properties

Compound Name4-ethyl-5-methylhept-5-en-3-one
PubChem CID131227895
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4-ethyl-5-methylhept-5-en-3-one
SMILESCC=C(C)C(CC)C(=O)CC
InChIInChI=1S/C10H18O/c1-5-8(4)9(6-2)10(11)7-3/h5,9H,6-7H2,1-4H3
InChIKeyWFIQJQXEBFDHTH-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tris(2-ethyl-3-oxopentanoate);iron(3+)
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4-bromohexan-3-one
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(E)-4-methylhex-4-en-3-ol;(E)-4-methylhex-4-en-3-one
CID 174726929
5,9,13,17-tetrahydroxy-4,6,8,10,12,14,16,18-octamethylicosa-6,10,14,18-tetraen-3-one
CID 162816603
(2S)-3-oxo-2-propylpentanoic acid
CID 40565903
4-ethylhex-5-en-3-one
CID 130029751
acetic acid;tetraethylphosphanium
CID 159003626
(E)-4,7-dihydroxydec-5-ene-3,8-dione
CID 139635405
4-methylhex-4-en-3-amine
CID 123973735
(Z)-6,7-dimethylnon-7-en-3-one
CID 155583051
methyl 2-ethyl-3-oxopentanoate;3-oxopentanoic acid
CID 174906211

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methylhept-5-en-3-one?
The IUPAC name of 4-ethyl-5-methylhept-5-en-3-one (CID 131227895) is 4-ethyl-5-methylhept-5-en-3-one.
What is the SMILES notation for 4-ethyl-5-methylhept-5-en-3-one?
The canonical SMILES for 4-ethyl-5-methylhept-5-en-3-one is CC=C(C)C(CC)C(=O)CC.
What is the InChIKey of 4-ethyl-5-methylhept-5-en-3-one?
The InChIKey is WFIQJQXEBFDHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-8(4)9(6-2)10(11)7-3/h5,9H,6-7H2,1-4H3.
What are the key properties of 4-ethyl-5-methylhept-5-en-3-one?
4-ethyl-5-methylhept-5-en-3-one has a molecular weight of 154.25 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methylhept-5-en-3-one is sourced from PubChem (CID 131227895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).