4-(2-oxoheptan-3-yl)furo[2,3-c]pyran-5-one

C14H16O4 — CID 101087058

IUPAC4-(2-oxoheptan-3-yl)furo[2,3-c]pyran-5-one
SMILESCCCCC(C(C)=O)c1c(=O)occ2occc12
InChIInChI=1S/C14H16O4/c1-3-4-5-10(9(2)15)13-11-6-7-17-12(11)8-18-14(13)16/h6-8,10H,3-5H2,1-2H3
InChIKeyXMZMKZVDTJBKQA-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.25
Rot. Bonds5

About 4-(2-oxoheptan-3-yl)furo[2,3-c]pyran-5-one

4-(2-oxoheptan-3-yl)furo[2,3-c]pyran-5-one (PubChem CID 101087058) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-(2-oxoheptan-3-yl)furo[2,3-c]pyran-5-one.

Molecular Properties

Compound Name4-(2-oxoheptan-3-yl)furo[2,3-c]pyran-5-one
PubChem CID101087058
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name4-(2-oxoheptan-3-yl)furo[2,3-c]pyran-5-one
SMILESCCCCC(C(C)=O)c1c(=O)occ2occc12
InChIInChI=1S/C14H16O4/c1-3-4-5-10(9(2)15)13-11-6-7-17-12(11)8-18-14(13)16/h6-8,10H,3-5H2,1-2H3
InChIKeyXMZMKZVDTJBKQA-UHFFFAOYSA-N
XLogP3.25
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Sequoiatone E
CID 10872842
Sequoiatone C
CID 10915738
methyl (6E,7R)-7-hydroxy-3,7-dimethyl-6-[(3S)-3-methyl-2-oxononylidene]cyclopenta[c]pyran-5-carboxylate
CID 15382209
methyl (6Z,7R)-7-hydroxy-3,7-dimethyl-6-[(3S)-3-methyl-2-oxononylidene]cyclopenta[c]pyran-5-carboxylate
CID 10761952
Methyl 7-hydroxy-3,7-dimethyl-6-(3-methyl-2-oxononylidene)cyclopenta[c]pyran-5-carboxylate
CID 73193429
Sequoiatone B
CID 139583483
4-Ethoxy-6,7,8,9,9a,9b-hexahydrobenzo[e][2]benzofuran-1,3-dione
CID 359542
ethyl (Z)-2-(2-hydroxy-5-oxocyclopenten-1-yl)-5-methylhex-2-enoate
CID 153926960
4-[(E)-2-methoxyhept-2-en-3-yl]furo[2,3-c]pyran-5-one
CID 12032126
Dimethyl 7-oxo-bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 129884285
ethyl (2E,4E,6E)-10-(4-methoxy-2-oxo-3-propylcyclopent-3-en-1-yl)deca-2,4,6-trienoate
CID 101669055
[(4R)-4-hydroxy-4-methylnona-1,5,7-trienyl] 7-hydroxy-3-methyl-2-[(1R)-2-oxocyclopentyl]hept-2-enoate
CID 57114795

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxoheptan-3-yl)furo[2,3-c]pyran-5-one?
The IUPAC name of 4-(2-oxoheptan-3-yl)furo[2,3-c]pyran-5-one (CID 101087058) is 4-(2-oxoheptan-3-yl)furo[2,3-c]pyran-5-one.
What is the SMILES notation for 4-(2-oxoheptan-3-yl)furo[2,3-c]pyran-5-one?
The canonical SMILES for 4-(2-oxoheptan-3-yl)furo[2,3-c]pyran-5-one is CCCCC(C(C)=O)c1c(=O)occ2occc12.
What is the InChIKey of 4-(2-oxoheptan-3-yl)furo[2,3-c]pyran-5-one?
The InChIKey is XMZMKZVDTJBKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-3-4-5-10(9(2)15)13-11-6-7-17-12(11)8-18-14(13)16/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 4-(2-oxoheptan-3-yl)furo[2,3-c]pyran-5-one?
4-(2-oxoheptan-3-yl)furo[2,3-c]pyran-5-one has a molecular weight of 248.28 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxoheptan-3-yl)furo[2,3-c]pyran-5-one is sourced from PubChem (CID 101087058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).