5,6-dihexoxy-2-benzofuran

C20H30O3 — CID 10591659

IUPAC5,6-dihexoxy-2-benzofuran
SMILESCCCCCCOc1cc2cocc2cc1OCCCCCC
InChIInChI=1S/C20H30O3/c1-3-5-7-9-11-22-19-13-17-15-21-16-18(17)14-20(19)23-12-10-8-6-4-2/h13-16H,3-12H2,1-2H3
InChIKeyRQMRXHIBVUEIAQ-UHFFFAOYSA-N
MW318.46 g/mol
LogP6.35
Rot. Bonds12

About 5,6-dihexoxy-2-benzofuran

5,6-dihexoxy-2-benzofuran (PubChem CID 10591659) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is 5,6-dihexoxy-2-benzofuran.

Molecular Properties

Compound Name5,6-dihexoxy-2-benzofuran
PubChem CID10591659
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name5,6-dihexoxy-2-benzofuran
SMILESCCCCCCOc1cc2cocc2cc1OCCCCCC
InChIInChI=1S/C20H30O3/c1-3-5-7-9-11-22-19-13-17-15-21-16-18(17)14-20(19)23-12-10-8-6-4-2/h13-16H,3-12H2,1-2H3
InChIKeyRQMRXHIBVUEIAQ-UHFFFAOYSA-N
XLogP6.35
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-didecoxyfuran
CID 172804324
1,2,4,5-tetrakis-decoxybenzene
CID 10556791
2,3,6,7,11,12-hexahexoxybenzo[b]triphenylene
CID 132991294
2,3,6,7,10-pentahexoxy-11-[7-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyheptoxy]triphenylene
CID 100981967
2-dodecoxy-3,6,7,10,11-pentahexoxytriphenylene
CID 86225228
2,3-dibutoxy-6,7,10,11-tetrakis-decoxytriphenylene
CID 86203884
2,3,6,7,10-pentahexoxy-11-[3-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxypropoxy]triphenylene
CID 100981965
1,2-dibromo-4,5-didecoxybenzene
CID 71339465
2,3,6,7-tetrakis-decoxy-11,12-dimethoxybenzo[b]triphenylene
CID 122383547
4,5-dioctoxybenzene-1,2-diamine;dihydrochloride
CID 71614381
2,6,10-tripentoxy-3,7,11-tripropoxytriphenylene
CID 101030004
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182

Frequently Asked Questions

What is the IUPAC name of 5,6-dihexoxy-2-benzofuran?
The IUPAC name of 5,6-dihexoxy-2-benzofuran (CID 10591659) is 5,6-dihexoxy-2-benzofuran.
What is the SMILES notation for 5,6-dihexoxy-2-benzofuran?
The canonical SMILES for 5,6-dihexoxy-2-benzofuran is CCCCCCOc1cc2cocc2cc1OCCCCCC.
What is the InChIKey of 5,6-dihexoxy-2-benzofuran?
The InChIKey is RQMRXHIBVUEIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O3/c1-3-5-7-9-11-22-19-13-17-15-21-16-18(17)14-20(19)23-12-10-8-6-4-2/h13-16H,3-12H2,1-2H3.
What are the key properties of 5,6-dihexoxy-2-benzofuran?
5,6-dihexoxy-2-benzofuran has a molecular weight of 318.46 g/mol, XLogP of 6.35, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihexoxy-2-benzofuran is sourced from PubChem (CID 10591659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).