2,8-dimethylnona-1,8-diene-3,7-dione

C11H16O2 — CID 13264944

IUPAC2,8-dimethylnona-1,8-diene-3,7-dione
SMILESC=C(C)C(=O)CCCC(=O)C(=C)C
InChIInChI=1S/C11H16O2/c1-8(2)10(12)6-5-7-11(13)9(3)4/h1,3,5-7H2,2,4H3
InChIKeyXHCYVNPLNYWDGI-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.45
Rot. Bonds6

About 2,8-dimethylnona-1,8-diene-3,7-dione

2,8-dimethylnona-1,8-diene-3,7-dione (PubChem CID 13264944) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,8-dimethylnona-1,8-diene-3,7-dione.

Molecular Properties

Compound Name2,8-dimethylnona-1,8-diene-3,7-dione
PubChem CID13264944
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2,8-dimethylnona-1,8-diene-3,7-dione
SMILESC=C(C)C(=O)CCCC(=O)C(=C)C
InChIInChI=1S/C11H16O2/c1-8(2)10(12)6-5-7-11(13)9(3)4/h1,3,5-7H2,2,4H3
InChIKeyXHCYVNPLNYWDGI-UHFFFAOYSA-N
XLogP2.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.45
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 2,8-dimethylnona-1,8-diene-3,7-dione?
The IUPAC name of 2,8-dimethylnona-1,8-diene-3,7-dione (CID 13264944) is 2,8-dimethylnona-1,8-diene-3,7-dione.
What is the SMILES notation for 2,8-dimethylnona-1,8-diene-3,7-dione?
The canonical SMILES for 2,8-dimethylnona-1,8-diene-3,7-dione is C=C(C)C(=O)CCCC(=O)C(=C)C.
What is the InChIKey of 2,8-dimethylnona-1,8-diene-3,7-dione?
The InChIKey is XHCYVNPLNYWDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8(2)10(12)6-5-7-11(13)9(3)4/h1,3,5-7H2,2,4H3.
What are the key properties of 2,8-dimethylnona-1,8-diene-3,7-dione?
2,8-dimethylnona-1,8-diene-3,7-dione has a molecular weight of 180.25 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethylnona-1,8-diene-3,7-dione is sourced from PubChem (CID 13264944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).