2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylfuran

C15H22O — CID 5366078

IUPAC2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylfuran
SMILESCC(C)=CCC/C(C)=C/Cc1occc1C
InChIInChI=1S/C15H22O/c1-12(2)6-5-7-13(3)8-9-15-14(4)10-11-16-15/h6,8,10-11H,5,7,9H2,1-4H3/b13-8+
InChIKeyCKUQXDUZAWSPOV-MDWZMJQESA-N
MW218.34 g/mol
LogP4.82
Rot. Bonds5

About 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylfuran

2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylfuran (PubChem CID 5366078) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylfuran.

Molecular Properties

Compound Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylfuran
PubChem CID5366078
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylfuran
SMILESCC(C)=CCC/C(C)=C/Cc1occc1C
InChIInChI=1S/C15H22O/c1-12(2)6-5-7-13(3)8-9-15-14(4)10-11-16-15/h6,8,10-11H,5,7,9H2,1-4H3/b13-8+
InChIKeyCKUQXDUZAWSPOV-MDWZMJQESA-N
XLogP4.82
TPSA13.14 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 ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylfuran?
The IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylfuran (CID 5366078) is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylfuran.
What is the SMILES notation for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylfuran?
The canonical SMILES for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylfuran is CC(C)=CCC/C(C)=C/Cc1occc1C.
What is the InChIKey of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylfuran?
The InChIKey is CKUQXDUZAWSPOV-MDWZMJQESA-N. The full InChI is InChI=1S/C15H22O/c1-12(2)6-5-7-13(3)8-9-15-14(4)10-11-16-15/h6,8,10-11H,5,7,9H2,1-4H3/b13-8+.
What are the key properties of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylfuran?
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylfuran has a molecular weight of 218.34 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylfuran is sourced from PubChem (CID 5366078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).