2,5-dimethoxy-3-(6-methylhept-5-enyl)-2,5-dihydrofuran

C14H24O3 — CID 10514206

IUPAC2,5-dimethoxy-3-(6-methylhept-5-enyl)-2,5-dihydrofuran
SMILESCOC1C=C(CCCCC=C(C)C)C(OC)O1
InChIInChI=1S/C14H24O3/c1-11(2)8-6-5-7-9-12-10-13(15-3)17-14(12)16-4/h8,10,13-14H,5-7,9H2,1-4H3
InChIKeyQGZHUWKKLWVBOL-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.41
Rot. Bonds7

About 2,5-dimethoxy-3-(6-methylhept-5-enyl)-2,5-dihydrofuran

2,5-dimethoxy-3-(6-methylhept-5-enyl)-2,5-dihydrofuran (PubChem CID 10514206) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2,5-dimethoxy-3-(6-methylhept-5-enyl)-2,5-dihydrofuran.

Molecular Properties

Compound Name2,5-dimethoxy-3-(6-methylhept-5-enyl)-2,5-dihydrofuran
PubChem CID10514206
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2,5-dimethoxy-3-(6-methylhept-5-enyl)-2,5-dihydrofuran
SMILESCOC1C=C(CCCCC=C(C)C)C(OC)O1
InChIInChI=1S/C14H24O3/c1-11(2)8-6-5-7-9-12-10-13(15-3)17-14(12)16-4/h8,10,13-14H,5-7,9H2,1-4H3
InChIKeyQGZHUWKKLWVBOL-UHFFFAOYSA-N
XLogP3.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,5-dimethoxy-3-(6-methylhept-5-enyl)-2,5-dihydrofuran?
The IUPAC name of 2,5-dimethoxy-3-(6-methylhept-5-enyl)-2,5-dihydrofuran (CID 10514206) is 2,5-dimethoxy-3-(6-methylhept-5-enyl)-2,5-dihydrofuran.
What is the SMILES notation for 2,5-dimethoxy-3-(6-methylhept-5-enyl)-2,5-dihydrofuran?
The canonical SMILES for 2,5-dimethoxy-3-(6-methylhept-5-enyl)-2,5-dihydrofuran is COC1C=C(CCCCC=C(C)C)C(OC)O1.
What is the InChIKey of 2,5-dimethoxy-3-(6-methylhept-5-enyl)-2,5-dihydrofuran?
The InChIKey is QGZHUWKKLWVBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-11(2)8-6-5-7-9-12-10-13(15-3)17-14(12)16-4/h8,10,13-14H,5-7,9H2,1-4H3.
What are the key properties of 2,5-dimethoxy-3-(6-methylhept-5-enyl)-2,5-dihydrofuran?
2,5-dimethoxy-3-(6-methylhept-5-enyl)-2,5-dihydrofuran has a molecular weight of 240.34 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-3-(6-methylhept-5-enyl)-2,5-dihydrofuran is sourced from PubChem (CID 10514206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).