4-(2,6-dimethoxyoxan-4-yl)-2H-furan-5-one

C11H16O5 — CID 162885463

IUPAC4-(2,6-dimethoxyoxan-4-yl)-2H-furan-5-one
SMILESCOC1CC(C2=CCOC2=O)CC(OC)O1
InChIInChI=1S/C11H16O5/c1-13-9-5-7(6-10(14-2)16-9)8-3-4-15-11(8)12/h3,7,9-10H,4-6H2,1-2H3
InChIKeyDKIHDNVPWKNNBN-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.84
Rot. Bonds3

About 4-(2,6-dimethoxyoxan-4-yl)-2H-furan-5-one

4-(2,6-dimethoxyoxan-4-yl)-2H-furan-5-one (PubChem CID 162885463) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 4-(2,6-dimethoxyoxan-4-yl)-2H-furan-5-one.

Molecular Properties

Compound Name4-(2,6-dimethoxyoxan-4-yl)-2H-furan-5-one
PubChem CID162885463
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name4-(2,6-dimethoxyoxan-4-yl)-2H-furan-5-one
SMILESCOC1CC(C2=CCOC2=O)CC(OC)O1
InChIInChI=1S/C11H16O5/c1-13-9-5-7(6-10(14-2)16-9)8-3-4-15-11(8)12/h3,7,9-10H,4-6H2,1-2H3
InChIKeyDKIHDNVPWKNNBN-UHFFFAOYSA-N
XLogP0.84
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4R)-3-ethylidene-2-oxooxan-4-yl]acetate
CID 162989246
ethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate
CID 14214227
methyl 4-methyl-3-[2-(tetrahydro-2H-pyran-2-yloxy)ethyl]-2-pentenoate
CID 86690515
methyl (1R,5R,6Z)-6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylate
CID 44241606
(3-Ethylidene-2-oxotetrahydropyran-4-yl)-acetic acid methyl ester
CID 74832966
methyl (2R,4R)-2-ethoxy-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506602
methyl (2R,4S)-2-ethoxy-4-ethyl-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506603
methyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate
CID 134972652
methyl (4S,5E,6S)-5-ethylidene-6-methoxy-4-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
CID 168340622
methyl (E)-3-methyl-6-(oxan-2-yloxy)hex-2-enoate
CID 12454417
[5-oxo-4-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2H-furan-2-yl] acetate
CID 14159810
ethyl (4Z)-4-(diethoxymethyl)-4-hexenoate
CID 24977307

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxyoxan-4-yl)-2H-furan-5-one?
The IUPAC name of 4-(2,6-dimethoxyoxan-4-yl)-2H-furan-5-one (CID 162885463) is 4-(2,6-dimethoxyoxan-4-yl)-2H-furan-5-one.
What is the SMILES notation for 4-(2,6-dimethoxyoxan-4-yl)-2H-furan-5-one?
The canonical SMILES for 4-(2,6-dimethoxyoxan-4-yl)-2H-furan-5-one is COC1CC(C2=CCOC2=O)CC(OC)O1.
What is the InChIKey of 4-(2,6-dimethoxyoxan-4-yl)-2H-furan-5-one?
The InChIKey is DKIHDNVPWKNNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-13-9-5-7(6-10(14-2)16-9)8-3-4-15-11(8)12/h3,7,9-10H,4-6H2,1-2H3.
What are the key properties of 4-(2,6-dimethoxyoxan-4-yl)-2H-furan-5-one?
4-(2,6-dimethoxyoxan-4-yl)-2H-furan-5-one has a molecular weight of 228.24 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxyoxan-4-yl)-2H-furan-5-one is sourced from PubChem (CID 162885463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).