1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione

C11H14O4 — CID 165483416

IUPAC1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione
SMILESCOC(C)(C)C(=O)CC(=O)c1ccco1
InChIInChI=1S/C11H14O4/c1-11(2,14-3)10(13)7-8(12)9-5-4-6-15-9/h4-6H,7H2,1-3H3
InChIKeySCEBJPOOZLDPMB-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.85
Rot. Bonds5

About 1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione

1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione (PubChem CID 165483416) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione.

Molecular Properties

Compound Name1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione
PubChem CID165483416
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione
SMILESCOC(C)(C)C(=O)CC(=O)c1ccco1
InChIInChI=1S/C11H14O4/c1-11(2,14-3)10(13)7-8(12)9-5-4-6-15-9/h4-6H,7H2,1-3H3
InChIKeySCEBJPOOZLDPMB-UHFFFAOYSA-N
XLogP1.85
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 90929550
4,4-difluoro-1-(furan-2-yl)pentane-1,3-dione
CID 102033516
1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 62875308
ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
calcium;1-(furan-2-yl)butane-1,3-dione;hydride
CID 173386868
ethyl 3-(furan-2-yl)-3-oxopropanoate
CID 2759240
4,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dione;nickel
CID 54608465
sodium;ethyl 3-(furan-2-yl)-3-oxopropanoate;hydride
CID 175451832
tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate
CID 165467897
1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione
CID 43321207
methyl 2-ethyl-4-(furan-2-yl)-4-oxobutanoate
CID 15759449
aminomethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethane
CID 144767506

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione?
The IUPAC name of 1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione (CID 165483416) is 1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione.
What is the SMILES notation for 1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione?
The canonical SMILES for 1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione is COC(C)(C)C(=O)CC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione?
The InChIKey is SCEBJPOOZLDPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-11(2,14-3)10(13)7-8(12)9-5-4-6-15-9/h4-6H,7H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione?
1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione has a molecular weight of 210.23 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione is sourced from PubChem (CID 165483416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).