4-methylideneheptane-2,6-dione

C8H12O2 — CID 538605

IUPAC4-methylideneheptane-2,6-dione
SMILESC=C(CC(C)=O)CC(C)=O
InChIInChI=1S/C8H12O2/c1-6(4-7(2)9)5-8(3)10/h1,4-5H2,2-3H3
InChIKeyQWZYCGZJKSOEPL-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.50
Rot. Bonds4

About 4-methylideneheptane-2,6-dione

4-methylideneheptane-2,6-dione (PubChem CID 538605) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-methylideneheptane-2,6-dione.

Molecular Properties

Compound Name4-methylideneheptane-2,6-dione
PubChem CID538605
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-methylideneheptane-2,6-dione
SMILESC=C(CC(C)=O)CC(C)=O
InChIInChI=1S/C8H12O2/c1-6(4-7(2)9)5-8(3)10/h1,4-5H2,2-3H3
InChIKeyQWZYCGZJKSOEPL-UHFFFAOYSA-N
XLogP1.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-6-hepten-2-one
CID 151509
3-Methylene-2,6-heptanedione
CID 7015329
5-Methylene-3-heptanone
CID 545104
1,2-Dimethacryloylethane
CID 12031919
3-Methylideneheptan-2-one
CID 12349876
6-Methylhept-6-en-3-one
CID 19789134
3-Ethenylideneheptan-2-one
CID 10953591
6-Methylene-1,4-cycloheptanedione
CID 15155660
2-Methylallyl ketone
CID 12625747
4-Methylidenenonane-3,7-dione
CID 12950264
7-Methyloct-7-ene-2,6-dione
CID 12957031
2,8-Dimethylnona-1,8-diene-3,7-dione
CID 13264944

Frequently Asked Questions

What is the IUPAC name of 4-methylideneheptane-2,6-dione?
The IUPAC name of 4-methylideneheptane-2,6-dione (CID 538605) is 4-methylideneheptane-2,6-dione.
What is the SMILES notation for 4-methylideneheptane-2,6-dione?
The canonical SMILES for 4-methylideneheptane-2,6-dione is C=C(CC(C)=O)CC(C)=O.
What is the InChIKey of 4-methylideneheptane-2,6-dione?
The InChIKey is QWZYCGZJKSOEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(4-7(2)9)5-8(3)10/h1,4-5H2,2-3H3.
What are the key properties of 4-methylideneheptane-2,6-dione?
4-methylideneheptane-2,6-dione has a molecular weight of 140.18 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylideneheptane-2,6-dione is sourced from PubChem (CID 538605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).