1-(furan-2-yl)-2-methyldecane-1,3-dione

C15H22O3 — CID 62633228

IUPAC1-(furan-2-yl)-2-methyldecane-1,3-dione
SMILESCCCCCCCC(=O)C(C)C(=O)c1ccco1
InChIInChI=1S/C15H22O3/c1-3-4-5-6-7-9-13(16)12(2)15(17)14-10-8-11-18-14/h8,10-12H,3-7,9H2,1-2H3
InChIKeySPLXRBTTZWEZMZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.03
Rot. Bonds9

About 1-(furan-2-yl)-2-methyldecane-1,3-dione

1-(furan-2-yl)-2-methyldecane-1,3-dione (PubChem CID 62633228) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-methyldecane-1,3-dione.

Molecular Properties

Compound Name1-(furan-2-yl)-2-methyldecane-1,3-dione
PubChem CID62633228
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-(furan-2-yl)-2-methyldecane-1,3-dione
SMILESCCCCCCCC(=O)C(C)C(=O)c1ccco1
InChIInChI=1S/C15H22O3/c1-3-4-5-6-7-9-13(16)12(2)15(17)14-10-8-11-18-14/h8,10-12H,3-7,9H2,1-2H3
InChIKeySPLXRBTTZWEZMZ-UHFFFAOYSA-N
XLogP4.03
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)undecan-1-one
CID 15721327
1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340
furan-2-carboxylic acid;hexane
CID 157215891
25-methylnonatetracontane-24,26-dione
CID 173069947
2-methyl-1-thiophen-2-yldecane-1,3-dione
CID 61333341
1-(furan-2-yl)-2-(hydroxymethyl)hexan-1-one
CID 45101558
[2-(furan-2-yl)-2-oxoethyl] octadecanoate
CID 126696522
2-bromo-1-(furan-2-yl)butan-1-one
CID 45081165
2-ethyl-1-(furan-2-yl)butan-1-one
CID 14709528
N-[(E)-1-(furan-2-yl)ethylideneamino]undecanamide
CID 6260551
N-[1-(furan-2-yl)ethylideneamino]undecanamide
CID 5060301
N-[(Z)-3-oxooct-1-enyl]furan-2-carboxamide
CID 134951622

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-methyldecane-1,3-dione?
The IUPAC name of 1-(furan-2-yl)-2-methyldecane-1,3-dione (CID 62633228) is 1-(furan-2-yl)-2-methyldecane-1,3-dione.
What is the SMILES notation for 1-(furan-2-yl)-2-methyldecane-1,3-dione?
The canonical SMILES for 1-(furan-2-yl)-2-methyldecane-1,3-dione is CCCCCCCC(=O)C(C)C(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-methyldecane-1,3-dione?
The InChIKey is SPLXRBTTZWEZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-3-4-5-6-7-9-13(16)12(2)15(17)14-10-8-11-18-14/h8,10-12H,3-7,9H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-2-methyldecane-1,3-dione?
1-(furan-2-yl)-2-methyldecane-1,3-dione has a molecular weight of 250.34 g/mol, XLogP of 4.03, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-methyldecane-1,3-dione is sourced from PubChem (CID 62633228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).