3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan

C15H22O — CID 5316534

IUPAC3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan
SMILESCC(C)=CCC/C(C)=C/CCc1ccoc1
InChIInChI=1S/C15H22O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h6,8,10-12H,4-5,7,9H2,1-3H3/b14-8+
InChIKeyLZBXPXAOYQVZEC-RIYZIHGNSA-N
MW218.34 g/mol
LogP4.90
Rot. Bonds6

About 3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan

3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan (PubChem CID 5316534) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan.

Molecular Properties

Compound Name3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan
PubChem CID5316534
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan
SMILESCC(C)=CCC/C(C)=C/CCc1ccoc1
InChIInChI=1S/C15H22O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h6,8,10-12H,4-5,7,9H2,1-3H3/b14-8+
InChIKeyLZBXPXAOYQVZEC-RIYZIHGNSA-N
XLogP4.90
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.90
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-[(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-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-(4,8,12,16-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-(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-[(3E)-4,8-dimethylnona-3,7-dienyl]furan?
The IUPAC name of 3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan (CID 5316534) is 3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan.
What is the SMILES notation for 3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan?
The canonical SMILES for 3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan is CC(C)=CCC/C(C)=C/CCc1ccoc1.
What is the InChIKey of 3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan?
The InChIKey is LZBXPXAOYQVZEC-RIYZIHGNSA-N. The full InChI is InChI=1S/C15H22O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h6,8,10-12H,4-5,7,9H2,1-3H3/b14-8+.
What are the key properties of 3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan?
3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan has a molecular weight of 218.34 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan is sourced from PubChem (CID 5316534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).