3-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]furan

C25H38O — CID 15930585

IUPAC3-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]furan
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCc1ccoc1
InChIInChI=1S/C25H38O/c1-21(2)10-6-11-22(3)12-7-13-23(4)14-8-15-24(5)16-9-17-25-18-19-26-20-25/h10,12,14,16,18-20H,6-9,11,13,15,17H2,1-5H3/b22-12+,23-14+,24-16+
InChIKeyMMBGEJBNENOQLD-CTXABYMZSA-N
MW354.58 g/mol
LogP8.36
Rot. Bonds12

About 3-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]furan

3-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]furan (PubChem CID 15930585) has the molecular formula C25H38O and a molecular weight of 354.58 g/mol. Its IUPAC name is 3-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]furan.

Molecular Properties

Compound Name3-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]furan
PubChem CID15930585
Molecular FormulaC25H38O
Molecular Weight354.58 g/mol
Exact Mass354.29
IUPAC Name3-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]furan
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCc1ccoc1
InChIInChI=1S/C25H38O/c1-21(2)10-6-11-22(3)12-7-13-23(4)14-8-15-24(5)16-9-17-25-18-19-26-20-25/h10,12,14,16,18-20H,6-9,11,13,15,17H2,1-5H3/b22-12+,23-14+,24-16+
InChIKeyMMBGEJBNENOQLD-CTXABYMZSA-N
XLogP8.36
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]furan with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]furan?
The IUPAC name of 3-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]furan (CID 15930585) is 3-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]furan.
What is the SMILES notation for 3-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]furan?
The canonical SMILES for 3-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]furan is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCc1ccoc1.
What is the InChIKey of 3-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]furan?
The InChIKey is MMBGEJBNENOQLD-CTXABYMZSA-N. The full InChI is InChI=1S/C25H38O/c1-21(2)10-6-11-22(3)12-7-13-23(4)14-8-15-24(5)16-9-17-25-18-19-26-20-25/h10,12,14,16,18-20H,6-9,11,13,15,17H2,1-5H3/b22-12+,23-14+,24-16+.
What are the key properties of 3-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]furan?
3-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]furan has a molecular weight of 354.58 g/mol, XLogP of 8.36, 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)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]furan is sourced from PubChem (CID 15930585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).