4-methylidenenonane-3,7-dione

C10H16O2 — CID 12950264

IUPAC4-methylidenenonane-3,7-dione
SMILESC=C(CCC(=O)CC)C(=O)CC
InChIInChI=1S/C10H16O2/c1-4-9(11)7-6-8(3)10(12)5-2/h3-7H2,1-2H3
InChIKeySSXSIXMZTINQCH-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.28
Rot. Bonds6

About 4-methylidenenonane-3,7-dione

4-methylidenenonane-3,7-dione (PubChem CID 12950264) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-methylidenenonane-3,7-dione.

Molecular Properties

Compound Name4-methylidenenonane-3,7-dione
PubChem CID12950264
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-methylidenenonane-3,7-dione
SMILESC=C(CCC(=O)CC)C(=O)CC
InChIInChI=1S/C10H16O2/c1-4-9(11)7-6-8(3)10(12)5-2/h3-7H2,1-2H3
InChIKeySSXSIXMZTINQCH-UHFFFAOYSA-N
XLogP2.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Pentyl-1-buten-3-one
CID 62218
2-Nonanone, 3-methylene-
CID 3017847
3-Methylene-2,6-heptanedione
CID 7015329
Cyclododecanone, 2-methylene-
CID 534631
5-Methylideneundecan-2-one
CID 10866978
3-Acetyl-1,2-nonadiene
CID 12616865
8-Methylnon-8-en-2-one
CID 10057732
3-Methylideneoctan-4-one
CID 11815902
1,2-Dimethacryloylethane
CID 12031919
3-Methylideneheptan-2-one
CID 12349876
4-Acetylcyclohex-3-enone
CID 12563050
5-Methylideneundecan-6-one
CID 13485263

Frequently Asked Questions

What is the IUPAC name of 4-methylidenenonane-3,7-dione?
The IUPAC name of 4-methylidenenonane-3,7-dione (CID 12950264) is 4-methylidenenonane-3,7-dione.
What is the SMILES notation for 4-methylidenenonane-3,7-dione?
The canonical SMILES for 4-methylidenenonane-3,7-dione is C=C(CCC(=O)CC)C(=O)CC.
What is the InChIKey of 4-methylidenenonane-3,7-dione?
The InChIKey is SSXSIXMZTINQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-9(11)7-6-8(3)10(12)5-2/h3-7H2,1-2H3.
What are the key properties of 4-methylidenenonane-3,7-dione?
4-methylidenenonane-3,7-dione has a molecular weight of 168.24 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenenonane-3,7-dione is sourced from PubChem (CID 12950264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).