5-hexyl-2,2-dimethoxy-3H-furan

C12H22O3 — CID 13308236

IUPAC5-hexyl-2,2-dimethoxy-3H-furan
SMILESCCCCCCC1=CCC(OC)(OC)O1
InChIInChI=1S/C12H22O3/c1-4-5-6-7-8-11-9-10-12(13-2,14-3)15-11/h9H,4-8,10H2,1-3H3
InChIKeyRFAUCXYTKBQTGC-UHFFFAOYSA-N
MW214.30 g/mol
LogP3.21
Rot. Bonds7

About 5-hexyl-2,2-dimethoxy-3H-furan

5-hexyl-2,2-dimethoxy-3H-furan (PubChem CID 13308236) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 5-hexyl-2,2-dimethoxy-3H-furan.

Molecular Properties

Compound Name5-hexyl-2,2-dimethoxy-3H-furan
PubChem CID13308236
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name5-hexyl-2,2-dimethoxy-3H-furan
SMILESCCCCCCC1=CCC(OC)(OC)O1
InChIInChI=1S/C12H22O3/c1-4-5-6-7-8-11-9-10-12(13-2,14-3)15-11/h9H,4-8,10H2,1-3H3
InChIKeyRFAUCXYTKBQTGC-UHFFFAOYSA-N
XLogP3.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2,2-dimethoxy-3H-furan?
The IUPAC name of 5-hexyl-2,2-dimethoxy-3H-furan (CID 13308236) is 5-hexyl-2,2-dimethoxy-3H-furan.
What is the SMILES notation for 5-hexyl-2,2-dimethoxy-3H-furan?
The canonical SMILES for 5-hexyl-2,2-dimethoxy-3H-furan is CCCCCCC1=CCC(OC)(OC)O1.
What is the InChIKey of 5-hexyl-2,2-dimethoxy-3H-furan?
The InChIKey is RFAUCXYTKBQTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-5-6-7-8-11-9-10-12(13-2,14-3)15-11/h9H,4-8,10H2,1-3H3.
What are the key properties of 5-hexyl-2,2-dimethoxy-3H-furan?
5-hexyl-2,2-dimethoxy-3H-furan has a molecular weight of 214.30 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2,2-dimethoxy-3H-furan is sourced from PubChem (CID 13308236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).