3-[(3E,7E,11E)-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]furan

C24H36O — CID 54588647

IUPAC3-[(3E,7E,11E)-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]furan
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C/CCc1ccoc1
InChIInChI=1S/C24H36O/c1-21(2)12-10-14-23(4)16-11-15-22(3)13-8-6-5-7-9-17-24-18-19-25-20-24/h5,7,12-13,16,18-20H,6,8-11,14-15,17H2,1-4H3/b7-5+,22-13+,23-16+
InChIKeyKRGPLKLBHADPNV-BMONIJJTSA-N
MW340.55 g/mol
LogP7.97
Rot. Bonds12

About 3-[(3E,7E,11E)-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]furan

3-[(3E,7E,11E)-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]furan (PubChem CID 54588647) has the molecular formula C24H36O and a molecular weight of 340.55 g/mol. Its IUPAC name is 3-[(3E,7E,11E)-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]furan.

Molecular Properties

Compound Name3-[(3E,7E,11E)-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]furan
PubChem CID54588647
Molecular FormulaC24H36O
Molecular Weight340.55 g/mol
Exact Mass340.28
IUPAC Name3-[(3E,7E,11E)-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]furan
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C/CCc1ccoc1
InChIInChI=1S/C24H36O/c1-21(2)12-10-14-23(4)16-11-15-22(3)13-8-6-5-7-9-17-24-18-19-25-20-24/h5,7,12-13,16,18-20H,6,8-11,14-15,17H2,1-4H3/b7-5+,22-13+,23-16+
InChIKeyKRGPLKLBHADPNV-BMONIJJTSA-N
XLogP7.97
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.55
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(3E,7E,11E)-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]furan with MolForge

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Related Compounds

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
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
(2Z,7E,11Z)-2-[3-(furan-3-yl)propylidene]-8,16-dimethyl-5-prop-1-en-2-ylheptadeca-7,11,15-trienoic acid
CID 101136315
13-(furan-3-yl)-4-hydroxy-2,6,10-trimethyltrideca-2,6,10-trien-5-one
CID 162994880
(E)-5-(furan-3-yl)pent-2-en-1-ol
CID 121419604
(6E,10Z,14E,18Z)-2,10,23-trimethyltetracosa-2,6,10,14,18,22-hexaene
CID 5326453

Frequently Asked Questions

What is the IUPAC name of 3-[(3E,7E,11E)-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]furan?
The IUPAC name of 3-[(3E,7E,11E)-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]furan (CID 54588647) is 3-[(3E,7E,11E)-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]furan.
What is the SMILES notation for 3-[(3E,7E,11E)-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]furan?
The canonical SMILES for 3-[(3E,7E,11E)-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]furan is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C/CCc1ccoc1.
What is the InChIKey of 3-[(3E,7E,11E)-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]furan?
The InChIKey is KRGPLKLBHADPNV-BMONIJJTSA-N. The full InChI is InChI=1S/C24H36O/c1-21(2)12-10-14-23(4)16-11-15-22(3)13-8-6-5-7-9-17-24-18-19-25-20-24/h5,7,12-13,16,18-20H,6,8-11,14-15,17H2,1-4H3/b7-5+,22-13+,23-16+.
What are the key properties of 3-[(3E,7E,11E)-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]furan?
3-[(3E,7E,11E)-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]furan has a molecular weight of 340.55 g/mol, XLogP of 7.97, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E,7E,11E)-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]furan is sourced from PubChem (CID 54588647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).