8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid

C19H26O3 — CID 162937476

IUPAC8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid
SMILESCC(C)=CCCC(=CCCC(C)=CCc1ccoc1)C(=O)O
InChIInChI=1S/C19H26O3/c1-15(2)6-4-8-18(19(20)21)9-5-7-16(3)10-11-17-12-13-22-14-17/h6,9-10,12-14H,4-5,7-8,11H2,1-3H3,(H,20,21)
InChIKeyJHNOTXHIYSVYSU-UHFFFAOYSA-N
MW302.41 g/mol
LogP5.31
Rot. Bonds9

About 8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid

8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid (PubChem CID 162937476) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is 8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid.

Molecular Properties

Compound Name8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid
PubChem CID162937476
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Name8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid
SMILESCC(C)=CCCC(=CCCC(C)=CCc1ccoc1)C(=O)O
InChIInChI=1S/C19H26O3/c1-15(2)6-4-8-18(19(20)21)9-5-7-16(3)10-11-17-12-13-22-14-17/h6,9-10,12-14H,4-5,7-8,11H2,1-3H3,(H,20,21)
InChIKeyJHNOTXHIYSVYSU-UHFFFAOYSA-N
XLogP5.31
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.41
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Centipedic acid
CID 5466638
Dendrolasin
CID 5316534
Variabilin
CID 54678431
Perillene
CID 68316
(1E,3Z,6R,7R)-6-[2-(furan-3-yl)ethyl]-6,7-dimethyl-10-methylidenecyclodeca-1,3-diene-1-carboxylic acid
CID 5469447
3-Ethylfuran
CID 3017760
(6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-4-one
CID 5367769
Furospongolide
CID 21637526
(2E,4E)-3-Methyl-5-{2-[(E)-2-(2,6,6-trimethyl-cyclohex-1-enyl)-vinyl]-furan-3-yl}-penta-2,4-dienoic acid
CID 11723916
5-(13-(3-Furanyl)-2,6,10-trimethyl-6,10-tridecadienylidene)-4-hydroxy-3-methyl-2(5H)-furanone
CID 54682873
Furospinosulin-1
CID 15930585
Saurufuran A
CID 643734

Frequently Asked Questions

What is the IUPAC name of 8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid?
The IUPAC name of 8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid (CID 162937476) is 8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid.
What is the SMILES notation for 8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid?
The canonical SMILES for 8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid is CC(C)=CCCC(=CCCC(C)=CCc1ccoc1)C(=O)O.
What is the InChIKey of 8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid?
The InChIKey is JHNOTXHIYSVYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O3/c1-15(2)6-4-8-18(19(20)21)9-5-7-16(3)10-11-17-12-13-22-14-17/h6,9-10,12-14H,4-5,7-8,11H2,1-3H3,(H,20,21).
What are the key properties of 8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid?
8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid has a molecular weight of 302.41 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid is sourced from PubChem (CID 162937476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).