dec-9-ene-2,8-dione

C10H16O2 — CID 142734191

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

About dec-9-ene-2,8-dione

dec-9-ene-2,8-dione (PubChem CID 142734191) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is dec-9-ene-2,8-dione.

Molecular Properties

Compound Namedec-9-ene-2,8-dione
PubChem CID142734191
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namedec-9-ene-2,8-dione
SMILESC=CC(=O)CCCCCC(C)=O
InChIInChI=1S/C10H16O2/c1-3-10(12)8-6-4-5-7-9(2)11/h3H,1,4-8H2,2H3
InChIKeyCIRCGXXMVPVRRA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dec-9-ene-2,8-dione?
The IUPAC name of dec-9-ene-2,8-dione (CID 142734191) is dec-9-ene-2,8-dione.
What is the SMILES notation for dec-9-ene-2,8-dione?
The canonical SMILES for dec-9-ene-2,8-dione is C=CC(=O)CCCCCC(C)=O.
What is the InChIKey of dec-9-ene-2,8-dione?
The InChIKey is CIRCGXXMVPVRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-10(12)8-6-4-5-7-9(2)11/h3H,1,4-8H2,2H3.
What are the key properties of dec-9-ene-2,8-dione?
dec-9-ene-2,8-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-2,8-dione is sourced from PubChem (CID 142734191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).