(Z)-1-(furan-2-yl)oct-3-en-1-one

C12H16O2 — CID 15606164

IUPAC(Z)-1-(furan-2-yl)oct-3-en-1-one
SMILESCCCC/C=C\CC(=O)c1ccco1
InChIInChI=1S/C12H16O2/c1-2-3-4-5-6-8-11(13)12-9-7-10-14-12/h5-7,9-10H,2-4,8H2,1H3/b6-5-
InChIKeyXVMKOUOECCLFHH-WAYWQWQTSA-N
MW192.26 g/mol
LogP3.60
Rot. Bonds6

About (Z)-1-(furan-2-yl)oct-3-en-1-one

(Z)-1-(furan-2-yl)oct-3-en-1-one (PubChem CID 15606164) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (Z)-1-(furan-2-yl)oct-3-en-1-one.

Molecular Properties

Compound Name(Z)-1-(furan-2-yl)oct-3-en-1-one
PubChem CID15606164
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(Z)-1-(furan-2-yl)oct-3-en-1-one
SMILESCCCC/C=C\CC(=O)c1ccco1
InChIInChI=1S/C12H16O2/c1-2-3-4-5-6-8-11(13)12-9-7-10-14-12/h5-7,9-10H,2-4,8H2,1H3/b6-5-
InChIKeyXVMKOUOECCLFHH-WAYWQWQTSA-N
XLogP3.60
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-1-(furan-2-yl)nona-2,4-dien-1-one
CID 11458373
1-(furan-2-yl)undecan-1-one
CID 15721327
(E)-5-(furan-2-yl)-5-oxopent-2-enoic acid
CID 20529977
furan-2-carboxylic acid;hexane
CID 157215891
(E)-N-benzyloct-3-enamide
CID 14875642
N-butyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389809
[3-(furan-2-yl)-3-oxopropanoyl] pentanoate
CID 142062801
1-(furan-2-yl)-2-(propylamino)ethanone
CID 14188381
3-(ethylamino)-1-(furan-2-yl)propan-1-one
CID 67303302
[2-(furan-2-yl)-2-oxoethyl] octadecanoate
CID 126696522
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
N-[(E)-1-(furan-2-yl)ethylideneamino]undecanamide
CID 6260551

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(furan-2-yl)oct-3-en-1-one?
The IUPAC name of (Z)-1-(furan-2-yl)oct-3-en-1-one (CID 15606164) is (Z)-1-(furan-2-yl)oct-3-en-1-one.
What is the SMILES notation for (Z)-1-(furan-2-yl)oct-3-en-1-one?
The canonical SMILES for (Z)-1-(furan-2-yl)oct-3-en-1-one is CCCC/C=C\CC(=O)c1ccco1.
What is the InChIKey of (Z)-1-(furan-2-yl)oct-3-en-1-one?
The InChIKey is XVMKOUOECCLFHH-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-3-4-5-6-8-11(13)12-9-7-10-14-12/h5-7,9-10H,2-4,8H2,1H3/b6-5-.
What are the key properties of (Z)-1-(furan-2-yl)oct-3-en-1-one?
(Z)-1-(furan-2-yl)oct-3-en-1-one has a molecular weight of 192.26 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(furan-2-yl)oct-3-en-1-one is sourced from PubChem (CID 15606164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).