4-[(E)-2-methoxyhept-2-en-3-yl]furo[2,3-c]pyran-5-one

C15H18O4 — CID 12032126

IUPAC4-[(E)-2-methoxyhept-2-en-3-yl]furo[2,3-c]pyran-5-one
SMILESCCCC/C(=C(/C)OC)c1c(=O)occ2occc12
InChIInChI=1S/C15H18O4/c1-4-5-6-11(10(2)17-3)14-12-7-8-18-13(12)9-19-15(14)16/h7-9H,4-6H2,1-3H3/b11-10+
InChIKeyFQRKJNXEZJUPEB-ZHACJKMWSA-N
MW262.31 g/mol
LogP3.95
Rot. Bonds5

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

4-[(E)-2-methoxyhept-2-en-3-yl]furo[2,3-c]pyran-5-one (PubChem CID 12032126) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[(E)-2-methoxyhept-2-en-3-yl]furo[2,3-c]pyran-5-one.

Molecular Properties

Compound Name4-[(E)-2-methoxyhept-2-en-3-yl]furo[2,3-c]pyran-5-one
PubChem CID12032126
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name4-[(E)-2-methoxyhept-2-en-3-yl]furo[2,3-c]pyran-5-one
SMILESCCCC/C(=C(/C)OC)c1c(=O)occ2occc12
InChIInChI=1S/C15H18O4/c1-4-5-6-11(10(2)17-3)14-12-7-8-18-13(12)9-19-15(14)16/h7-9H,4-6H2,1-3H3/b11-10+
InChIKeyFQRKJNXEZJUPEB-ZHACJKMWSA-N
XLogP3.95
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Sedanonic acid lactone
CID 10932278
Sedanonic anhydride
CID 71514785
3-Hexyl-4-methoxy-6-pentylpyran-2-one
CID 24795380
Setosphapyrone D
CID 139590085
Dimethyl 11-oxabicyclo[7.3.2]tetradeca-1(12),9,13-triene-13,14-dicarboxylate
CID 13660115
Ethyl 2-methyl-6-oxo-4-pentylpyran-3-carboxylate
CID 101410529
ethyl 2-[(E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]cyclopentene-1-carboxylate
CID 102123002
Ethyl 2-acetyloxycyclohexene-1-carboxylate
CID 15275619
Pentylpyron
CID 54477340
Ethyl 2-(5,5-dimethyl-2-oxofuran-3-yl)cyclopentene-1-carboxylate
CID 10705801
13-Oxabicyclo[9.3.1]pentadeca-1(14),11(15)-diene-3,12-dione
CID 10799699
Ethyl 2-tert-butyl-4-(cyclohexen-1-yl)-5-methyl-6-oxopyran-3-carboxylate
CID 11370572

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-methoxyhept-2-en-3-yl]furo[2,3-c]pyran-5-one?
The IUPAC name of 4-[(E)-2-methoxyhept-2-en-3-yl]furo[2,3-c]pyran-5-one (CID 12032126) is 4-[(E)-2-methoxyhept-2-en-3-yl]furo[2,3-c]pyran-5-one.
What is the SMILES notation for 4-[(E)-2-methoxyhept-2-en-3-yl]furo[2,3-c]pyran-5-one?
The canonical SMILES for 4-[(E)-2-methoxyhept-2-en-3-yl]furo[2,3-c]pyran-5-one is CCCC/C(=C(/C)OC)c1c(=O)occ2occc12.
What is the InChIKey of 4-[(E)-2-methoxyhept-2-en-3-yl]furo[2,3-c]pyran-5-one?
The InChIKey is FQRKJNXEZJUPEB-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H18O4/c1-4-5-6-11(10(2)17-3)14-12-7-8-18-13(12)9-19-15(14)16/h7-9H,4-6H2,1-3H3/b11-10+.
What are the key properties of 4-[(E)-2-methoxyhept-2-en-3-yl]furo[2,3-c]pyran-5-one?
4-[(E)-2-methoxyhept-2-en-3-yl]furo[2,3-c]pyran-5-one has a molecular weight of 262.31 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-methoxyhept-2-en-3-yl]furo[2,3-c]pyran-5-one is sourced from PubChem (CID 12032126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).