2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-ethenyl-2,5-dihydrofuran

C15H22O — CID 11790665

IUPAC2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-ethenyl-2,5-dihydrofuran
SMILESC=CC1=CCOC1/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H22O/c1-5-14-9-10-16-15(14)11-13(4)8-6-7-12(2)3/h5,7,9,11,15H,1,6,8,10H2,2-4H3/b13-11+
InChIKeyNHUZKNWIEPZDOE-ACCUITESSA-N
MW218.34 g/mol
LogP4.19
Rot. Bonds5

About 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-ethenyl-2,5-dihydrofuran

2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-ethenyl-2,5-dihydrofuran (PubChem CID 11790665) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-ethenyl-2,5-dihydrofuran.

Molecular Properties

Compound Name2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-ethenyl-2,5-dihydrofuran
PubChem CID11790665
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-ethenyl-2,5-dihydrofuran
SMILESC=CC1=CCOC1/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H22O/c1-5-14-9-10-16-15(14)11-13(4)8-6-7-12(2)3/h5,7,9,11,15H,1,6,8,10H2,2-4H3/b13-11+
InChIKeyNHUZKNWIEPZDOE-ACCUITESSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.19
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

2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]oxirane
CID 11446544
2-(2,6-dimethylhepta-1,5-dienyl)-1,3-oxathiolane
CID 53423091
2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxolane
CID 71587623
(2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-ethenyl-2-methyloxirane
CID 42600655
1-ethenyl-5-(5-methylhex-4-enyl)cyclopentene
CID 11636969
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;2-methyloxaziridine
CID 20839770
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(3Z,5R)-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-[(4S)-4-hydroxy-4-methylhex-5-enylidene]oxolan-2-one
CID 162878046

Frequently Asked Questions

What is the IUPAC name of 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-ethenyl-2,5-dihydrofuran?
The IUPAC name of 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-ethenyl-2,5-dihydrofuran (CID 11790665) is 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-ethenyl-2,5-dihydrofuran.
What is the SMILES notation for 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-ethenyl-2,5-dihydrofuran?
The canonical SMILES for 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-ethenyl-2,5-dihydrofuran is C=CC1=CCOC1/C=C(\C)CCC=C(C)C.
What is the InChIKey of 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-ethenyl-2,5-dihydrofuran?
The InChIKey is NHUZKNWIEPZDOE-ACCUITESSA-N. The full InChI is InChI=1S/C15H22O/c1-5-14-9-10-16-15(14)11-13(4)8-6-7-12(2)3/h5,7,9,11,15H,1,6,8,10H2,2-4H3/b13-11+.
What are the key properties of 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-ethenyl-2,5-dihydrofuran?
2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-ethenyl-2,5-dihydrofuran has a molecular weight of 218.34 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-ethenyl-2,5-dihydrofuran is sourced from PubChem (CID 11790665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).