2-heptyl-5-(2-methylpropyl)-2,5-dihydrofuran

C15H28O — CID 21450091

IUPAC2-heptyl-5-(2-methylpropyl)-2,5-dihydrofuran
SMILESCCCCCCCC1C=CC(CC(C)C)O1
InChIInChI=1S/C15H28O/c1-4-5-6-7-8-9-14-10-11-15(16-14)12-13(2)3/h10-11,13-15H,4-9,12H2,1-3H3
InChIKeyHPBLPIIYKQYPBK-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.72
Rot. Bonds8

About 2-heptyl-5-(2-methylpropyl)-2,5-dihydrofuran

2-heptyl-5-(2-methylpropyl)-2,5-dihydrofuran (PubChem CID 21450091) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-heptyl-5-(2-methylpropyl)-2,5-dihydrofuran.

Molecular Properties

Compound Name2-heptyl-5-(2-methylpropyl)-2,5-dihydrofuran
PubChem CID21450091
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-heptyl-5-(2-methylpropyl)-2,5-dihydrofuran
SMILESCCCCCCCC1C=CC(CC(C)C)O1
InChIInChI=1S/C15H28O/c1-4-5-6-7-8-9-14-10-11-15(16-14)12-13(2)3/h10-11,13-15H,4-9,12H2,1-3H3
InChIKeyHPBLPIIYKQYPBK-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-butyl-3-undecyloxirane
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(2S,7R)-2-hexyl-7-propyl-2,3,6,7-tetrahydrooxepine
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[(2R,3S,6R)-3-methyl-6-pentyl-3,6-dihydro-2H-pyran-2-yl] 2,2-dimethylpropanoate
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Frequently Asked Questions

What is the IUPAC name of 2-heptyl-5-(2-methylpropyl)-2,5-dihydrofuran?
The IUPAC name of 2-heptyl-5-(2-methylpropyl)-2,5-dihydrofuran (CID 21450091) is 2-heptyl-5-(2-methylpropyl)-2,5-dihydrofuran.
What is the SMILES notation for 2-heptyl-5-(2-methylpropyl)-2,5-dihydrofuran?
The canonical SMILES for 2-heptyl-5-(2-methylpropyl)-2,5-dihydrofuran is CCCCCCCC1C=CC(CC(C)C)O1.
What is the InChIKey of 2-heptyl-5-(2-methylpropyl)-2,5-dihydrofuran?
The InChIKey is HPBLPIIYKQYPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-4-5-6-7-8-9-14-10-11-15(16-14)12-13(2)3/h10-11,13-15H,4-9,12H2,1-3H3.
What are the key properties of 2-heptyl-5-(2-methylpropyl)-2,5-dihydrofuran?
2-heptyl-5-(2-methylpropyl)-2,5-dihydrofuran has a molecular weight of 224.39 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-5-(2-methylpropyl)-2,5-dihydrofuran is sourced from PubChem (CID 21450091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).