3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan

C30H48O — CID 123833340

IUPAC3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan
SMILESCC(=CCCC(C)=CCCc1ccoc1)CCC=C(C)CCC=C(C)CCCC(C)C
InChIInChI=1S/C30H48O/c1-25(2)12-7-13-26(3)14-8-15-27(4)16-9-17-28(5)18-10-19-29(6)20-11-21-30-22-23-31-24-30/h14,16,18,20,22-25H,7-13,15,17,19,21H2,1-6H3
InChIKeyOHVSJKPUIYZTFP-UHFFFAOYSA-N
MW424.71 g/mol
LogP10.16
Rot. Bonds16

About 3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan

3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan (PubChem CID 123833340) has the molecular formula C30H48O and a molecular weight of 424.71 g/mol. Its IUPAC name is 3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan.

Molecular Properties

Compound Name3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan
PubChem CID123833340
Molecular FormulaC30H48O
Molecular Weight424.71 g/mol
Exact Mass424.37
IUPAC Name3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan
SMILESCC(=CCCC(C)=CCCc1ccoc1)CCC=C(C)CCC=C(C)CCCC(C)C
InChIInChI=1S/C30H48O/c1-25(2)12-7-13-26(3)14-8-15-27(4)16-9-17-28(5)18-10-19-29(6)20-11-21-30-22-23-31-24-30/h14,16,18,20,22-25H,7-13,15,17,19,21H2,1-6H3
InChIKeyOHVSJKPUIYZTFP-UHFFFAOYSA-N
XLogP10.16
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.71
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4,8-dimethylpentadeca-3,7-dienyl)furan
CID 74218572
3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan
CID 5316534
3-(4,8,12,16-tetramethylhenicosa-3,7,11,15,19-pentaenyl)furan
CID 123177359
3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan
CID 123271436
3-[(3E,7E,11E,15E,19E)-4,8,12,16,20-pentamethyltetracosa-3,7,11,15,19-pentaen-23-ynyl]furan
CID 89431367
3-[(3E,7E,11E,15E,19E)-4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19,21-hexaenyl]furan
CID 89431414
3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan
CID 123470713
4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]thiomorpholine
CID 155811540
(5Z)-5-[(2R,6Z,10Z)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienylidene]-4-hydroxy-3-methylfuran-2-one
CID 102074166
3-[(3E,7E,11E)-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]furan
CID 54588647
[(2Z)-2-[(2S,6E,10E)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienylidene]-4-methyl-5-oxofuran-3-yl] 15-methylhexadecanoate
CID 102470542
(2Z,7E,11E)-14-(furan-3-yl)-3-(hydroxymethyl)-7,11-dimethyltetradeca-2,7,11-trienoic acid
CID 25158445

Frequently Asked Questions

What is the IUPAC name of 3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan?
The IUPAC name of 3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan (CID 123833340) is 3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan.
What is the SMILES notation for 3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan?
The canonical SMILES for 3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan is CC(=CCCC(C)=CCCc1ccoc1)CCC=C(C)CCC=C(C)CCCC(C)C.
What is the InChIKey of 3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan?
The InChIKey is OHVSJKPUIYZTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48O/c1-25(2)12-7-13-26(3)14-8-15-27(4)16-9-17-28(5)18-10-19-29(6)20-11-21-30-22-23-31-24-30/h14,16,18,20,22-25H,7-13,15,17,19,21H2,1-6H3.
What are the key properties of 3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan?
3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan has a molecular weight of 424.71 g/mol, XLogP of 10.16, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan is sourced from PubChem (CID 123833340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).