non-7-en-3-one

C9H16O — CID 56994302

IUPACnon-7-en-3-one
SMILESCC=CCCCC(=O)CC
InChIInChI=1S/C9H16O/c1-3-5-6-7-8-9(10)4-2/h3,5H,4,6-8H2,1-2H3
InChIKeyXLFAXORWNLPOEK-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.71
Rot. Bonds5

About non-7-en-3-one

non-7-en-3-one (PubChem CID 56994302) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is non-7-en-3-one.

Molecular Properties

Compound Namenon-7-en-3-one
PubChem CID56994302
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namenon-7-en-3-one
SMILESCC=CCCCC(=O)CC
InChIInChI=1S/C9H16O/c1-3-5-6-7-8-9(10)4-2/h3,5H,4,6-8H2,1-2H3
InChIKeyXLFAXORWNLPOEK-UHFFFAOYSA-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

(E)-undec-9-en-3-one
CID 22074109
heptan-3-one;non-2-ene
CID 175423097
heptadec-2-en-7-one
CID 54227331
deca-7,9-dien-3-one
CID 141369431
(2Z,19Z)-henicosa-2,19-dien-11-one
CID 170029762
pentadec-10-en-3-one
CID 175973732
(E)-hept-5-enamide
CID 18415105
heptadecane-3,7,11,15-tetrone
CID 160942813
10-oxododec-2-enal
CID 175604866
sodium;hept-5-enoic acid;hydride
CID 174384913
hexadec-6-en-3-one
CID 141403796
undec-2-en-6-one;hydrochloride
CID 175086863

Frequently Asked Questions

What is the IUPAC name of non-7-en-3-one?
The IUPAC name of non-7-en-3-one (CID 56994302) is non-7-en-3-one.
What is the SMILES notation for non-7-en-3-one?
The canonical SMILES for non-7-en-3-one is CC=CCCCC(=O)CC.
What is the InChIKey of non-7-en-3-one?
The InChIKey is XLFAXORWNLPOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-5-6-7-8-9(10)4-2/h3,5H,4,6-8H2,1-2H3.
What are the key properties of non-7-en-3-one?
non-7-en-3-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 non-7-en-3-one is sourced from PubChem (CID 56994302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).