3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan

C28H42O — CID 123271436

IUPAC3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan
SMILESCC=CCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCc1ccoc1
InChIInChI=1S/C28H42O/c1-6-7-12-24(2)13-8-14-25(3)15-9-16-26(4)17-10-18-27(5)19-11-20-28-21-22-29-23-28/h6-7,13,15,17,19,21-23H,8-12,14,16,18,20H2,1-5H3
InChIKeyMSCGVTLUHTXDEV-UHFFFAOYSA-N
MW394.64 g/mol
LogP9.30
Rot. Bonds14

About 3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan

3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan (PubChem CID 123271436) has the molecular formula C28H42O and a molecular weight of 394.64 g/mol. Its IUPAC name is 3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan.

Molecular Properties

Compound Name3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan
PubChem CID123271436
Molecular FormulaC28H42O
Molecular Weight394.64 g/mol
Exact Mass394.32
IUPAC Name3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan
SMILESCC=CCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCc1ccoc1
InChIInChI=1S/C28H42O/c1-6-7-12-24(2)13-8-14-25(3)15-9-16-26(4)17-10-18-27(5)19-11-20-28-21-22-29-23-28/h6-7,13,15,17,19,21-23H,8-12,14,16,18,20H2,1-5H3
InChIKeyMSCGVTLUHTXDEV-UHFFFAOYSA-N
XLogP9.30
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan with MolForge

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Related Compounds

3-(4,8,12,16-tetramethylhenicosa-3,7,11,15,19-pentaenyl)furan
CID 123177359
3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan
CID 5316534
3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan
CID 123470713
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)-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]furan
CID 54588647
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-dimethylpentadeca-3,7-dienyl)furan
CID 74218572
3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan
CID 123833340
13-(furan-3-yl)-4-hydroxy-2,6,10-trimethyltrideca-2,6,10-trien-5-one
CID 162994880
4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]thiomorpholine
CID 155811540
(1E,4E,6S,8E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-1,4,8-trien-6-ol
CID 638873
(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-tetramethylicosa-3,7,11,15,18-pentaenyl)furan?
The IUPAC name of 3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan (CID 123271436) is 3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan.
What is the SMILES notation for 3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan?
The canonical SMILES for 3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan is CC=CCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCc1ccoc1.
What is the InChIKey of 3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan?
The InChIKey is MSCGVTLUHTXDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O/c1-6-7-12-24(2)13-8-14-25(3)15-9-16-26(4)17-10-18-27(5)19-11-20-28-21-22-29-23-28/h6-7,13,15,17,19,21-23H,8-12,14,16,18,20H2,1-5H3.
What are the key properties of 3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan?
3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan has a molecular weight of 394.64 g/mol, XLogP of 9.30, 14 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-tetramethylicosa-3,7,11,15,18-pentaenyl)furan is sourced from PubChem (CID 123271436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).