heptan-3-one;non-2-ene

C16H32O — CID 175423097

IUPACheptan-3-one;non-2-ene
SMILESCC=CCCCCCC.CCCCC(=O)CC
InChIInChI=1S/C9H18.C7H14O/c1-3-5-7-9-8-6-4-2;1-3-5-6-7(8)4-2/h3,5H,4,6-9H2,1-2H3;3-6H2,1-2H3
InChIKeyAKBZPCHFSVZDSF-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.69
Rot. Bonds9

About heptan-3-one;non-2-ene

heptan-3-one;non-2-ene (PubChem CID 175423097) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is heptan-3-one;non-2-ene.

Molecular Properties

Compound Nameheptan-3-one;non-2-ene
PubChem CID175423097
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Nameheptan-3-one;non-2-ene
SMILESCC=CCCCCCC.CCCCC(=O)CC
InChIInChI=1S/C9H18.C7H14O/c1-3-5-7-9-8-6-4-2;1-3-5-6-7(8)4-2/h3,5H,4,6-9H2,1-2H3;3-6H2,1-2H3
InChIKeyAKBZPCHFSVZDSF-UHFFFAOYSA-N
XLogP5.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.69
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'}

Analyze heptan-3-one;non-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-undec-9-en-3-one
CID 22074109
non-7-en-3-one
CID 56994302
heptadec-2-en-7-one
CID 54227331
hexadec-6-en-3-one
CID 141403796
pentadec-10-en-3-one
CID 175973732
(Z)-dodec-2-ene;propan-2-one
CID 175013676
(Z)-icos-2-ene
CID 5352524
decan-3-one;dec-3-en-2-one
CID 174922599
(E)-triacont-15-ene-8,23-dione
CID 11849500
(2Z,19Z)-henicosa-2,19-dien-11-one
CID 170029762
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
octadeca-2,10-diene
CID 54270716

Frequently Asked Questions

What is the IUPAC name of heptan-3-one;non-2-ene?
The IUPAC name of heptan-3-one;non-2-ene (CID 175423097) is heptan-3-one;non-2-ene.
What is the SMILES notation for heptan-3-one;non-2-ene?
The canonical SMILES for heptan-3-one;non-2-ene is CC=CCCCCCC.CCCCC(=O)CC.
What is the InChIKey of heptan-3-one;non-2-ene?
The InChIKey is AKBZPCHFSVZDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C7H14O/c1-3-5-7-9-8-6-4-2;1-3-5-6-7(8)4-2/h3,5H,4,6-9H2,1-2H3;3-6H2,1-2H3.
What are the key properties of heptan-3-one;non-2-ene?
heptan-3-one;non-2-ene has a molecular weight of 240.43 g/mol, XLogP of 5.69, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-3-one;non-2-ene is sourced from PubChem (CID 175423097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).