3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan

C27H38O — CID 123470713

IUPAC3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan
SMILESC#CCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCc1ccoc1
InChIInChI=1S/C27H38O/c1-6-11-23(2)12-7-13-24(3)14-8-15-25(4)16-9-17-26(5)18-10-19-27-20-21-28-22-27/h1,12,14,16,18,20-22H,7-11,13,15,17,19H2,2-5H3
InChIKeyJLQNOBQROJDOSM-UHFFFAOYSA-N
MW378.60 g/mol
LogP8.36
Rot. Bonds13

About 3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan

3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan (PubChem CID 123470713) has the molecular formula C27H38O and a molecular weight of 378.60 g/mol. Its IUPAC name is 3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan.

Molecular Properties

Compound Name3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan
PubChem CID123470713
Molecular FormulaC27H38O
Molecular Weight378.60 g/mol
Exact Mass378.29
IUPAC Name3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan
SMILESC#CCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCc1ccoc1
InChIInChI=1S/C27H38O/c1-6-11-23(2)12-7-13-24(3)14-8-15-25(4)16-9-17-26(5)18-10-19-27-20-21-28-22-27/h1,12,14,16,18,20-22H,7-11,13,15,17,19H2,2-5H3
InChIKeyJLQNOBQROJDOSM-UHFFFAOYSA-N
XLogP8.36
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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)-4,8-dimethylnona-3,7-dienyl]furan
CID 5316534
3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan
CID 123271436
3-(4,8,12,16-tetramethylhenicosa-3,7,11,15,19-pentaenyl)furan
CID 123177359
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
(2Z,7E,11E)-14-(furan-3-yl)-3-(hydroxymethyl)-7,11-dimethyltetradeca-2,7,11-trienoic acid
CID 25158445
(3E,7E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one
CID 15625486

Frequently Asked Questions

What is the IUPAC name of 3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan?
The IUPAC name of 3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan (CID 123470713) is 3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan.
What is the SMILES notation for 3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan?
The canonical SMILES for 3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan is C#CCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCc1ccoc1.
What is the InChIKey of 3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan?
The InChIKey is JLQNOBQROJDOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38O/c1-6-11-23(2)12-7-13-24(3)14-8-15-25(4)16-9-17-26(5)18-10-19-27-20-21-28-22-27/h1,12,14,16,18,20-22H,7-11,13,15,17,19H2,2-5H3.
What are the key properties of 3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan?
3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan has a molecular weight of 378.60 g/mol, XLogP of 8.36, 13 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-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan is sourced from PubChem (CID 123470713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).