(Z)-undec-4-en-2-one

C11H20O — CID 177193877

IUPAC(Z)-undec-4-en-2-one
SMILESCCCCCC/C=C\CC(C)=O
InChIInChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h8-9H,3-7,10H2,1-2H3/b9-8-
InChIKeyRGKAYELXMBVDAZ-HJWRWDBZSA-N
MW168.28 g/mol
LogP3.49
Rot. Bonds7

About (Z)-undec-4-en-2-one

(Z)-undec-4-en-2-one (PubChem CID 177193877) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (Z)-undec-4-en-2-one.

Molecular Properties

Compound Name(Z)-undec-4-en-2-one
PubChem CID177193877
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(Z)-undec-4-en-2-one
SMILESCCCCCC/C=C\CC(C)=O
InChIInChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h8-9H,3-7,10H2,1-2H3/b9-8-
InChIKeyRGKAYELXMBVDAZ-HJWRWDBZSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-dec-4-en-2-one
CID 12955998
acetic acid;(E)-tetradec-7-ene
CID 174697247
henicos-9-en-2-one
CID 91100997
(E)-heptadec-5-en-2-one
CID 87291834
(E)-dotriacont-23-en-2-one
CID 5365248
(Z)-heptadec-7-en-2-one
CID 90307080
(Z)-pentacos-16-en-2-one
CID 90307095
heptatriaconta-6,28-dien-2-one
CID 549930
(Z)-tricos-16-en-2-one
CID 134866400
(E)-icos-10-en-2-one
CID 137410632
tetratriacont-20-en-2-one
CID 56637991
nonadec-3-enamide
CID 54215031

Frequently Asked Questions

What is the IUPAC name of (Z)-undec-4-en-2-one?
The IUPAC name of (Z)-undec-4-en-2-one (CID 177193877) is (Z)-undec-4-en-2-one.
What is the SMILES notation for (Z)-undec-4-en-2-one?
The canonical SMILES for (Z)-undec-4-en-2-one is CCCCCC/C=C\CC(C)=O.
What is the InChIKey of (Z)-undec-4-en-2-one?
The InChIKey is RGKAYELXMBVDAZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h8-9H,3-7,10H2,1-2H3/b9-8-.
What are the key properties of (Z)-undec-4-en-2-one?
(Z)-undec-4-en-2-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 (Z)-undec-4-en-2-one is sourced from PubChem (CID 177193877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).