dec-9-ene-2,7-dione

C10H16O2 — CID 12569346

IUPACdec-9-ene-2,7-dione
SMILESC=CCC(=O)CCCCC(C)=O
InChIInChI=1S/C10H16O2/c1-3-6-10(12)8-5-4-7-9(2)11/h3H,1,4-8H2,2H3
InChIKeyKQWSPSBGLZYFDS-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.28
Rot. Bonds7

About dec-9-ene-2,7-dione

dec-9-ene-2,7-dione (PubChem CID 12569346) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is dec-9-ene-2,7-dione.

Molecular Properties

Compound Namedec-9-ene-2,7-dione
PubChem CID12569346
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namedec-9-ene-2,7-dione
SMILESC=CCC(=O)CCCCC(C)=O
InChIInChI=1S/C10H16O2/c1-3-6-10(12)8-5-4-7-9(2)11/h3H,1,4-8H2,2H3
InChIKeyKQWSPSBGLZYFDS-UHFFFAOYSA-N
XLogP2.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

8-methylnon-1-en-4-one
CID 116659508
1-hydroxyoctane-2,7-dione
CID 19604643
nonadecane-2,6,10,14,18-pentone
CID 539058
tricosane-2,6,10,14,18,22-hexone
CID 537144
(213C)pent-4-en-2-one
CID 173180315
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
7-(propan-2-ylamino)hept-1-en-4-one
CID 116558076
heptan-2-one;pent-1-ene
CID 21192006
pentadecane-2,13-dione
CID 58143587
6-methylnon-8-en-2-one
CID 87772414
calcium;hydride;pent-4-en-2-one
CID 174750875

Frequently Asked Questions

What is the IUPAC name of dec-9-ene-2,7-dione?
The IUPAC name of dec-9-ene-2,7-dione (CID 12569346) is dec-9-ene-2,7-dione.
What is the SMILES notation for dec-9-ene-2,7-dione?
The canonical SMILES for dec-9-ene-2,7-dione is C=CCC(=O)CCCCC(C)=O.
What is the InChIKey of dec-9-ene-2,7-dione?
The InChIKey is KQWSPSBGLZYFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-6-10(12)8-5-4-7-9(2)11/h3H,1,4-8H2,2H3.
What are the key properties of dec-9-ene-2,7-dione?
dec-9-ene-2,7-dione has a molecular weight of 168.24 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-ene-2,7-dione is sourced from PubChem (CID 12569346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).