5-hexyl-2,4,5-trimethoxy-2H-furan

C13H24O4 — CID 11368546

IUPAC5-hexyl-2,4,5-trimethoxy-2H-furan
SMILESCCCCCCC1(OC)OC(OC)C=C1OC
InChIInChI=1S/C13H24O4/c1-5-6-7-8-9-13(16-4)11(14-2)10-12(15-3)17-13/h10,12H,5-9H2,1-4H3
InChIKeyZRJBRBYLLXVZNU-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.83
Rot. Bonds8

About 5-hexyl-2,4,5-trimethoxy-2H-furan

5-hexyl-2,4,5-trimethoxy-2H-furan (PubChem CID 11368546) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 5-hexyl-2,4,5-trimethoxy-2H-furan.

Molecular Properties

Compound Name5-hexyl-2,4,5-trimethoxy-2H-furan
PubChem CID11368546
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name5-hexyl-2,4,5-trimethoxy-2H-furan
SMILESCCCCCCC1(OC)OC(OC)C=C1OC
InChIInChI=1S/C13H24O4/c1-5-6-7-8-9-13(16-4)11(14-2)10-12(15-3)17-13/h10,12H,5-9H2,1-4H3
InChIKeyZRJBRBYLLXVZNU-UHFFFAOYSA-N
XLogP2.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(Methoxymethoxy)-2-undecyl-2,5-dihydrofuran
CID 102055857
2,4,5-trimethoxy-5-undecyl-2H-furan
CID 134836299
5-Hydroperoxy-3-methoxy-2-undecyl-2,5-dihydrofuran
CID 134836323
(5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran
CID 135015993
(2R,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran
CID 44605098
(2S,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran
CID 44606206
(4E)-4-ethylidene-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolane
CID 143991944
(3aE)-2,2-dimethyl-5,6,7,8,9,9a-hexahydrocycloocta[d][1,3]dioxole
CID 155250056
2,2-Dimethyl-5,6,7,8,9,9a-hexahydrocycloocta[d][1,3]dioxole
CID 172759847
(4Z)-2-nonyl-4-(oxolan-2-ylidene)-1,3-dioxolane
CID 173639053
1-(2,3-Dioctoxytridec-2-enoxymethoxymethoxy)-2,3-dioctoxytridec-2-ene
CID 175163933
1-[1-(1-Nonoxy-2,3-dipropoxyoct-2-enoxy)-2,3-dipropoxyoct-2-enoxy]nonane
CID 175163955

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2,4,5-trimethoxy-2H-furan?
The IUPAC name of 5-hexyl-2,4,5-trimethoxy-2H-furan (CID 11368546) is 5-hexyl-2,4,5-trimethoxy-2H-furan.
What is the SMILES notation for 5-hexyl-2,4,5-trimethoxy-2H-furan?
The canonical SMILES for 5-hexyl-2,4,5-trimethoxy-2H-furan is CCCCCCC1(OC)OC(OC)C=C1OC.
What is the InChIKey of 5-hexyl-2,4,5-trimethoxy-2H-furan?
The InChIKey is ZRJBRBYLLXVZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-5-6-7-8-9-13(16-4)11(14-2)10-12(15-3)17-13/h10,12H,5-9H2,1-4H3.
What are the key properties of 5-hexyl-2,4,5-trimethoxy-2H-furan?
5-hexyl-2,4,5-trimethoxy-2H-furan has a molecular weight of 244.33 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2,4,5-trimethoxy-2H-furan is sourced from PubChem (CID 11368546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).