(4Z,7Z)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-4,7-dien-6-one

C21H26O3 — CID 15625484

IUPAC(4Z,7Z)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-4,7-dien-6-one
SMILESC/C(=C/C(=O)/C=C(/C)CCCc1ccoc1)CCCc1ccoc1
InChIInChI=1S/C21H26O3/c1-17(5-3-7-19-9-11-23-15-19)13-21(22)14-18(2)6-4-8-20-10-12-24-16-20/h9-16H,3-8H2,1-2H3/b17-13-,18-14-
InChIKeyLMNQNJRZKZYBMX-JTFWXBGUSA-N
MW326.44 g/mol
LogP5.68
Rot. Bonds10

About (4Z,7Z)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-4,7-dien-6-one

(4Z,7Z)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-4,7-dien-6-one (PubChem CID 15625484) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is (4Z,7Z)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-4,7-dien-6-one.

Molecular Properties

Compound Name(4Z,7Z)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-4,7-dien-6-one
PubChem CID15625484
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name(4Z,7Z)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-4,7-dien-6-one
SMILESC/C(=C/C(=O)/C=C(/C)CCCc1ccoc1)CCCc1ccoc1
InChIInChI=1S/C21H26O3/c1-17(5-3-7-19-9-11-23-15-19)13-21(22)14-18(2)6-4-8-20-10-12-24-16-20/h9-16H,3-8H2,1-2H3/b17-13-,18-14-
InChIKeyLMNQNJRZKZYBMX-JTFWXBGUSA-N
XLogP5.68
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,7Z)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-4,7-dien-6-one?
The IUPAC name of (4Z,7Z)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-4,7-dien-6-one (CID 15625484) is (4Z,7Z)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-4,7-dien-6-one.
What is the SMILES notation for (4Z,7Z)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-4,7-dien-6-one?
The canonical SMILES for (4Z,7Z)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-4,7-dien-6-one is C/C(=C/C(=O)/C=C(/C)CCCc1ccoc1)CCCc1ccoc1.
What is the InChIKey of (4Z,7Z)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-4,7-dien-6-one?
The InChIKey is LMNQNJRZKZYBMX-JTFWXBGUSA-N. The full InChI is InChI=1S/C21H26O3/c1-17(5-3-7-19-9-11-23-15-19)13-21(22)14-18(2)6-4-8-20-10-12-24-16-20/h9-16H,3-8H2,1-2H3/b17-13-,18-14-.
What are the key properties of (4Z,7Z)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-4,7-dien-6-one?
(4Z,7Z)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-4,7-dien-6-one has a molecular weight of 326.44 g/mol, XLogP of 5.68, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-4,7-dien-6-one is sourced from PubChem (CID 15625484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).