2-[(E)-5-(furan-3-yl)-2-methylpent-2-enyl]-4-methylfuran

C15H18O2 — CID 15558825

IUPAC2-[(E)-5-(furan-3-yl)-2-methylpent-2-enyl]-4-methylfuran
SMILESC/C(=C\CCc1ccoc1)Cc1cc(C)co1
InChIInChI=1S/C15H18O2/c1-12(8-15-9-13(2)10-17-15)4-3-5-14-6-7-16-11-14/h4,6-7,9-11H,3,5,8H2,1-2H3/b12-4+
InChIKeyRLEJDNXLEULCOM-UUILKARUSA-N
MW230.31 g/mol
LogP4.30
Rot. Bonds5

About 2-[(E)-5-(furan-3-yl)-2-methylpent-2-enyl]-4-methylfuran

2-[(E)-5-(furan-3-yl)-2-methylpent-2-enyl]-4-methylfuran (PubChem CID 15558825) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(E)-5-(furan-3-yl)-2-methylpent-2-enyl]-4-methylfuran.

Molecular Properties

Compound Name2-[(E)-5-(furan-3-yl)-2-methylpent-2-enyl]-4-methylfuran
PubChem CID15558825
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-[(E)-5-(furan-3-yl)-2-methylpent-2-enyl]-4-methylfuran
SMILESC/C(=C\CCc1ccoc1)Cc1cc(C)co1
InChIInChI=1S/C15H18O2/c1-12(8-15-9-13(2)10-17-15)4-3-5-14-6-7-16-11-14/h4,6-7,9-11H,3,5,8H2,1-2H3/b12-4+
InChIKeyRLEJDNXLEULCOM-UUILKARUSA-N
XLogP4.30
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5-(furan-3-yl)-2-methylpent-2-enyl]-4-methylfuran?
The IUPAC name of 2-[(E)-5-(furan-3-yl)-2-methylpent-2-enyl]-4-methylfuran (CID 15558825) is 2-[(E)-5-(furan-3-yl)-2-methylpent-2-enyl]-4-methylfuran.
What is the SMILES notation for 2-[(E)-5-(furan-3-yl)-2-methylpent-2-enyl]-4-methylfuran?
The canonical SMILES for 2-[(E)-5-(furan-3-yl)-2-methylpent-2-enyl]-4-methylfuran is C/C(=C\CCc1ccoc1)Cc1cc(C)co1.
What is the InChIKey of 2-[(E)-5-(furan-3-yl)-2-methylpent-2-enyl]-4-methylfuran?
The InChIKey is RLEJDNXLEULCOM-UUILKARUSA-N. The full InChI is InChI=1S/C15H18O2/c1-12(8-15-9-13(2)10-17-15)4-3-5-14-6-7-16-11-14/h4,6-7,9-11H,3,5,8H2,1-2H3/b12-4+.
What are the key properties of 2-[(E)-5-(furan-3-yl)-2-methylpent-2-enyl]-4-methylfuran?
2-[(E)-5-(furan-3-yl)-2-methylpent-2-enyl]-4-methylfuran has a molecular weight of 230.31 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-(furan-3-yl)-2-methylpent-2-enyl]-4-methylfuran is sourced from PubChem (CID 15558825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).