4-(2,5-dimethoxy-2H-furan-5-yl)butan-2-one

C10H16O4 — CID 12937296

IUPAC4-(2,5-dimethoxy-2H-furan-5-yl)butan-2-one
SMILESCOC1C=CC(CCC(C)=O)(OC)O1
InChIInChI=1S/C10H16O4/c1-8(11)4-6-10(13-3)7-5-9(12-2)14-10/h5,7,9H,4,6H2,1-3H3
InChIKeyLLFFKCCPLFYUJH-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds5

About 4-(2,5-dimethoxy-2H-furan-5-yl)butan-2-one

4-(2,5-dimethoxy-2H-furan-5-yl)butan-2-one (PubChem CID 12937296) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-(2,5-dimethoxy-2H-furan-5-yl)butan-2-one.

Molecular Properties

Compound Name4-(2,5-dimethoxy-2H-furan-5-yl)butan-2-one
PubChem CID12937296
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name4-(2,5-dimethoxy-2H-furan-5-yl)butan-2-one
SMILESCOC1C=CC(CCC(C)=O)(OC)O1
InChIInChI=1S/C10H16O4/c1-8(11)4-6-10(13-3)7-5-9(12-2)14-10/h5,7,9H,4,6H2,1-3H3
InChIKeyLLFFKCCPLFYUJH-UHFFFAOYSA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Methyl 3-(2,5-dimethoxy-2,5-dihydro-2-furyl)propionate
CID 13149550
5-butyl-2,5-dimethoxy-2H-furan
CID 12216653
2-Methyl-2,5-dimethoxy-2,5-dihydrofuryl-3-butanone
CID 129788419
2,5-Dihydro-2,5-dimethoxy-2-(3'-oxopropyl)furan
CID 12770868
methyl (Z)-8-(2,5-dimethoxy-2H-furan-5-yl)oct-5-enoate
CID 13036800
2,5-Dihydro-2,5-dimethoxy-2-(2'-carbethoxyethyl)furan
CID 21437423
2,5-Dihydro-2,5-diethoxy-2-(4'-carbomethoxybutyl)furan
CID 21437425
2,5-Dihydro-2,5-diethoxy-2-(4'-oxobutyl)furan
CID 21437431
8-(2,5-dimethoxy-2H-furan-5-yl)oct-5-enoic acid
CID 53815841
Methyl 8-(2,5-dimethoxy-2,5-dihydrofuran-2-yl)oct-5-enoate
CID 54528787
(Z)-8-(2,5-diethoxy-2H-furan-5-yl)oct-4-enoic acid
CID 68116955
12-(Oxan-2-yloxy)dodeca-6,10-dien-3-one
CID 70411892

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxy-2H-furan-5-yl)butan-2-one?
The IUPAC name of 4-(2,5-dimethoxy-2H-furan-5-yl)butan-2-one (CID 12937296) is 4-(2,5-dimethoxy-2H-furan-5-yl)butan-2-one.
What is the SMILES notation for 4-(2,5-dimethoxy-2H-furan-5-yl)butan-2-one?
The canonical SMILES for 4-(2,5-dimethoxy-2H-furan-5-yl)butan-2-one is COC1C=CC(CCC(C)=O)(OC)O1.
What is the InChIKey of 4-(2,5-dimethoxy-2H-furan-5-yl)butan-2-one?
The InChIKey is LLFFKCCPLFYUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-8(11)4-6-10(13-3)7-5-9(12-2)14-10/h5,7,9H,4,6H2,1-3H3.
What are the key properties of 4-(2,5-dimethoxy-2H-furan-5-yl)butan-2-one?
4-(2,5-dimethoxy-2H-furan-5-yl)butan-2-one has a molecular weight of 200.23 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxy-2H-furan-5-yl)butan-2-one is sourced from PubChem (CID 12937296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).