non-8-en-2-one

C9H16O — CID 21108

IUPACnon-8-en-2-one
SMILESC=CCCCCCC(C)=O
InChIInChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h3H,1,4-8H2,2H3
InChIKeyOIFXLYCBBBXCIB-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.71
Rot. Bonds6

About non-8-en-2-one

non-8-en-2-one (PubChem CID 21108) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is non-8-en-2-one.

Molecular Properties

Compound Namenon-8-en-2-one
PubChem CID21108
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namenon-8-en-2-one
SMILESC=CCCCCCC(C)=O
InChIInChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h3H,1,4-8H2,2H3
InChIKeyOIFXLYCBBBXCIB-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

12-Tridecen-2-one
CID 10888854
Civetone
CID 5315941
9-Decen-2-one
CID 118782
10-Undecen-2-one
CID 118928
2-Pentyl-1-buten-3-one
CID 62218
8-Cyclohexadecen-1-one
CID 6365152
9-Cycloheptadecen-1-one
CID 10954
5-Cyclohexadecen-1-one
CID 162268
Non-1-en-3-one
CID 181106
(8Z)-cyclohexadec-8-en-1-one
CID 5362739
Exaltenone
CID 6365389
7-Tetradecen-2-one, (7Z)-
CID 11344862

Frequently Asked Questions

What is the IUPAC name of non-8-en-2-one?
The IUPAC name of non-8-en-2-one (CID 21108) is non-8-en-2-one.
What is the SMILES notation for non-8-en-2-one?
The canonical SMILES for non-8-en-2-one is C=CCCCCCC(C)=O.
What is the InChIKey of non-8-en-2-one?
The InChIKey is OIFXLYCBBBXCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h3H,1,4-8H2,2H3.
What are the key properties of non-8-en-2-one?
non-8-en-2-one has a molecular weight of 140.23 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-8-en-2-one is sourced from PubChem (CID 21108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).