undec-2-en-4-one

C11H20O — CID 54475106

IUPACundec-2-en-4-one
SMILESCC=CC(=O)CCCCCCC
InChIInChI=1S/C11H20O/c1-3-5-6-7-8-10-11(12)9-4-2/h4,9H,3,5-8,10H2,1-2H3
InChIKeyXKZRHGWZYDQHSN-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.49
Rot. Bonds7

About undec-2-en-4-one

undec-2-en-4-one (PubChem CID 54475106) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is undec-2-en-4-one.

Molecular Properties

Compound Nameundec-2-en-4-one
PubChem CID54475106
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Nameundec-2-en-4-one
SMILESCC=CC(=O)CCCCCCC
InChIInChI=1S/C11H20O/c1-3-5-6-7-8-10-11(12)9-4-2/h4,9H,3,5-8,10H2,1-2H3
InChIKeyXKZRHGWZYDQHSN-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.49
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

tridec-2-en-4-one
CID 3025768
(E)-undec-2-en-4-one
CID 11550066
nonadeca-2,12-dien-4-one
CID 151605854
dodeca-2,4-dien-6-one
CID 71412707
(7E,9E)-henicosa-7,9-diene-6,11-dione
CID 56936226
octadeca-2,4,6-trien-8-one
CID 154172928
(E)-1-bromonon-1-en-3-one
CID 10987757
(E)-tridec-3-ene-2,5-dione
CID 12564114
(E)-1-chloronon-1-en-3-one
CID 12585287
(E,4E)-4-ethylidenedodec-2-ene
CID 144930771
(E)-henicos-9-en-11-one
CID 6366356
(Z)-hexadec-9-en-8-one
CID 134907163

Frequently Asked Questions

What is the IUPAC name of undec-2-en-4-one?
The IUPAC name of undec-2-en-4-one (CID 54475106) is undec-2-en-4-one.
What is the SMILES notation for undec-2-en-4-one?
The canonical SMILES for undec-2-en-4-one is CC=CC(=O)CCCCCCC.
What is the InChIKey of undec-2-en-4-one?
The InChIKey is XKZRHGWZYDQHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-5-6-7-8-10-11(12)9-4-2/h4,9H,3,5-8,10H2,1-2H3.
What are the key properties of undec-2-en-4-one?
undec-2-en-4-one has a molecular weight of 168.28 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undec-2-en-4-one is sourced from PubChem (CID 54475106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).