(E)-5-ethylnon-3-en-2-one

C11H20O — CID 6433525

IUPAC(E)-5-ethylnon-3-en-2-one
SMILESCCCCC(/C=C/C(C)=O)CC
InChIInChI=1S/C11H20O/c1-4-6-7-11(5-2)9-8-10(3)12/h8-9,11H,4-7H2,1-3H3/b9-8+
InChIKeySWBGUNASIKSCCO-CMDGGOBGSA-N
MW168.28 g/mol
LogP3.35
Rot. Bonds6

About (E)-5-ethylnon-3-en-2-one

(E)-5-ethylnon-3-en-2-one (PubChem CID 6433525) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (E)-5-ethylnon-3-en-2-one.

Molecular Properties

Compound Name(E)-5-ethylnon-3-en-2-one
PubChem CID6433525
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(E)-5-ethylnon-3-en-2-one
SMILESCCCCC(/C=C/C(C)=O)CC
InChIInChI=1S/C11H20O/c1-4-6-7-11(5-2)9-8-10(3)12/h8-9,11H,4-7H2,1-3H3/b9-8+
InChIKeySWBGUNASIKSCCO-CMDGGOBGSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-ethylnon-3-en-2-one?
The IUPAC name of (E)-5-ethylnon-3-en-2-one (CID 6433525) is (E)-5-ethylnon-3-en-2-one.
What is the SMILES notation for (E)-5-ethylnon-3-en-2-one?
The canonical SMILES for (E)-5-ethylnon-3-en-2-one is CCCCC(/C=C/C(C)=O)CC.
What is the InChIKey of (E)-5-ethylnon-3-en-2-one?
The InChIKey is SWBGUNASIKSCCO-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H20O/c1-4-6-7-11(5-2)9-8-10(3)12/h8-9,11H,4-7H2,1-3H3/b9-8+.
What are the key properties of (E)-5-ethylnon-3-en-2-one?
(E)-5-ethylnon-3-en-2-one has a molecular weight of 168.28 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-ethylnon-3-en-2-one is sourced from PubChem (CID 6433525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).