2-hexyl-4-methyl-3-prop-2-enyl-2,5-dihydrofuran

C14H24O — CID 10943714

IUPAC2-hexyl-4-methyl-3-prop-2-enyl-2,5-dihydrofuran
SMILESC=CCC1=C(C)COC1CCCCCC
InChIInChI=1S/C14H24O/c1-4-6-7-8-10-14-13(9-5-2)12(3)11-15-14/h5,14H,2,4,6-11H2,1,3H3
InChIKeyZWDBJRIIMGJNIU-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.25
Rot. Bonds7

About 2-hexyl-4-methyl-3-prop-2-enyl-2,5-dihydrofuran

2-hexyl-4-methyl-3-prop-2-enyl-2,5-dihydrofuran (PubChem CID 10943714) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-hexyl-4-methyl-3-prop-2-enyl-2,5-dihydrofuran.

Molecular Properties

Compound Name2-hexyl-4-methyl-3-prop-2-enyl-2,5-dihydrofuran
PubChem CID10943714
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-hexyl-4-methyl-3-prop-2-enyl-2,5-dihydrofuran
SMILESC=CCC1=C(C)COC1CCCCCC
InChIInChI=1S/C14H24O/c1-4-6-7-8-10-14-13(9-5-2)12(3)11-15-14/h5,14H,2,4,6-11H2,1,3H3
InChIKeyZWDBJRIIMGJNIU-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.25
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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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-4-methyl-3-prop-2-enyl-2,5-dihydrofuran?
The IUPAC name of 2-hexyl-4-methyl-3-prop-2-enyl-2,5-dihydrofuran (CID 10943714) is 2-hexyl-4-methyl-3-prop-2-enyl-2,5-dihydrofuran.
What is the SMILES notation for 2-hexyl-4-methyl-3-prop-2-enyl-2,5-dihydrofuran?
The canonical SMILES for 2-hexyl-4-methyl-3-prop-2-enyl-2,5-dihydrofuran is C=CCC1=C(C)COC1CCCCCC.
What is the InChIKey of 2-hexyl-4-methyl-3-prop-2-enyl-2,5-dihydrofuran?
The InChIKey is ZWDBJRIIMGJNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-4-6-7-8-10-14-13(9-5-2)12(3)11-15-14/h5,14H,2,4,6-11H2,1,3H3.
What are the key properties of 2-hexyl-4-methyl-3-prop-2-enyl-2,5-dihydrofuran?
2-hexyl-4-methyl-3-prop-2-enyl-2,5-dihydrofuran has a molecular weight of 208.34 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4-methyl-3-prop-2-enyl-2,5-dihydrofuran is sourced from PubChem (CID 10943714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).