3-butyl-4-[(3E)-3-ethylidenehept-1-en-2-yl]-2-methyl-2,5-dihydrofuran

C18H30O — CID 11832235

IUPAC3-butyl-4-[(3E)-3-ethylidenehept-1-en-2-yl]-2-methyl-2,5-dihydrofuran
SMILESC=C(C1=C(CCCC)C(C)OC1)/C(=C/C)CCCC
InChIInChI=1S/C18H30O/c1-6-9-11-16(8-3)14(4)18-13-19-15(5)17(18)12-10-7-2/h8,15H,4,6-7,9-13H2,1-3,5H3/b16-8+
InChIKeyDRUOBVWSUWNSFR-LZYBPNLTSA-N
MW262.44 g/mol
LogP5.58
Rot. Bonds8

About 3-butyl-4-[(3E)-3-ethylidenehept-1-en-2-yl]-2-methyl-2,5-dihydrofuran

3-butyl-4-[(3E)-3-ethylidenehept-1-en-2-yl]-2-methyl-2,5-dihydrofuran (PubChem CID 11832235) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 3-butyl-4-[(3E)-3-ethylidenehept-1-en-2-yl]-2-methyl-2,5-dihydrofuran.

Molecular Properties

Compound Name3-butyl-4-[(3E)-3-ethylidenehept-1-en-2-yl]-2-methyl-2,5-dihydrofuran
PubChem CID11832235
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name3-butyl-4-[(3E)-3-ethylidenehept-1-en-2-yl]-2-methyl-2,5-dihydrofuran
SMILESC=C(C1=C(CCCC)C(C)OC1)/C(=C/C)CCCC
InChIInChI=1S/C18H30O/c1-6-9-11-16(8-3)14(4)18-13-19-15(5)17(18)12-10-7-2/h8,15H,4,6-7,9-13H2,1-3,5H3/b16-8+
InChIKeyDRUOBVWSUWNSFR-LZYBPNLTSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-[(3E)-3-ethylidenehept-1-en-2-yl]-2-methyl-2,5-dihydrofuran?
The IUPAC name of 3-butyl-4-[(3E)-3-ethylidenehept-1-en-2-yl]-2-methyl-2,5-dihydrofuran (CID 11832235) is 3-butyl-4-[(3E)-3-ethylidenehept-1-en-2-yl]-2-methyl-2,5-dihydrofuran.
What is the SMILES notation for 3-butyl-4-[(3E)-3-ethylidenehept-1-en-2-yl]-2-methyl-2,5-dihydrofuran?
The canonical SMILES for 3-butyl-4-[(3E)-3-ethylidenehept-1-en-2-yl]-2-methyl-2,5-dihydrofuran is C=C(C1=C(CCCC)C(C)OC1)/C(=C/C)CCCC.
What is the InChIKey of 3-butyl-4-[(3E)-3-ethylidenehept-1-en-2-yl]-2-methyl-2,5-dihydrofuran?
The InChIKey is DRUOBVWSUWNSFR-LZYBPNLTSA-N. The full InChI is InChI=1S/C18H30O/c1-6-9-11-16(8-3)14(4)18-13-19-15(5)17(18)12-10-7-2/h8,15H,4,6-7,9-13H2,1-3,5H3/b16-8+.
What are the key properties of 3-butyl-4-[(3E)-3-ethylidenehept-1-en-2-yl]-2-methyl-2,5-dihydrofuran?
3-butyl-4-[(3E)-3-ethylidenehept-1-en-2-yl]-2-methyl-2,5-dihydrofuran has a molecular weight of 262.44 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-[(3E)-3-ethylidenehept-1-en-2-yl]-2-methyl-2,5-dihydrofuran is sourced from PubChem (CID 11832235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).