(Z)-non-6-en-2-one

C9H16O — CID 11105450

IUPAC(Z)-non-6-en-2-one
SMILESCC/C=C\CCCC(C)=O
InChIInChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h4-5H,3,6-8H2,1-2H3/b5-4-
InChIKeyTVHAWOPAFXXIQM-PLNGDYQASA-N
MW140.23 g/mol
LogP2.71
Rot. Bonds5

About (Z)-non-6-en-2-one

(Z)-non-6-en-2-one (PubChem CID 11105450) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (Z)-non-6-en-2-one.

Molecular Properties

Compound Name(Z)-non-6-en-2-one
PubChem CID11105450
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(Z)-non-6-en-2-one
SMILESCC/C=C\CCCC(C)=O
InChIInChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h4-5H,3,6-8H2,1-2H3/b5-4-
InChIKeyTVHAWOPAFXXIQM-PLNGDYQASA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.71
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

(6E,8E)-undeca-6,8-dien-2-one
CID 91753286
hexadec-13-ene-2,6-dione
CID 141028484
heptatriaconta-6,28-dien-2-one
CID 549930
hexadec-8-ene-2,15-dione
CID 91429732
(Z)-9-oxodec-4-enoic acid
CID 12893742
dodec-7-en-2-one
CID 123882998
(5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one
CID 91747987
4-oxopentanoyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
CID 121241520
(E)-dotriacont-23-en-2-one
CID 5365248
(Z)-pentacos-16-en-2-one
CID 90307095
(E)-icos-10-en-2-one
CID 137410632
(Z)-heptadec-7-en-2-one
CID 90307080

Frequently Asked Questions

What is the IUPAC name of (Z)-non-6-en-2-one?
The IUPAC name of (Z)-non-6-en-2-one (CID 11105450) is (Z)-non-6-en-2-one.
What is the SMILES notation for (Z)-non-6-en-2-one?
The canonical SMILES for (Z)-non-6-en-2-one is CC/C=C\CCCC(C)=O.
What is the InChIKey of (Z)-non-6-en-2-one?
The InChIKey is TVHAWOPAFXXIQM-PLNGDYQASA-N. The full InChI is InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h4-5H,3,6-8H2,1-2H3/b5-4-.
What are the key properties of (Z)-non-6-en-2-one?
(Z)-non-6-en-2-one has a molecular weight of 140.23 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-non-6-en-2-one is sourced from PubChem (CID 11105450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).