3,4-didecoxyfuran

C24H44O3 — CID 172804324

IUPAC3,4-didecoxyfuran
SMILESCCCCCCCCCCOc1cocc1OCCCCCCCCCC
InChIInChI=1S/C24H44O3/c1-3-5-7-9-11-13-15-17-19-26-23-21-25-22-24(23)27-20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3
InChIKeyRHIGPVSPEBKDAZ-UHFFFAOYSA-N
MW380.61 g/mol
LogP8.32
Rot. Bonds20

About 3,4-didecoxyfuran

3,4-didecoxyfuran (PubChem CID 172804324) has the molecular formula C24H44O3 and a molecular weight of 380.61 g/mol. Its IUPAC name is 3,4-didecoxyfuran.

Molecular Properties

Compound Name3,4-didecoxyfuran
PubChem CID172804324
Molecular FormulaC24H44O3
Molecular Weight380.61 g/mol
Exact Mass380.33
IUPAC Name3,4-didecoxyfuran
SMILESCCCCCCCCCCOc1cocc1OCCCCCCCCCC
InChIInChI=1S/C24H44O3/c1-3-5-7-9-11-13-15-17-19-26-23-21-25-22-24(23)27-20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3
InChIKeyRHIGPVSPEBKDAZ-UHFFFAOYSA-N
XLogP8.32
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.61
LogP ≤ 58.32
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

5,6-dihexoxy-2-benzofuran
CID 10591659
1,2,4,5-tetrakis-decoxybenzene
CID 10556791
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-dihexoxycyclohexa-1,3-dien-5-yne
CID 10778861
2,3-dibutoxy-6,7,10,11-tetrakis-decoxytriphenylene
CID 86203884
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
2,3,6,7,10-pentahexoxy-11-[3-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxypropoxy]triphenylene
CID 100981965
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
1,2-dibromo-4,5-didecoxybenzene
CID 71339465
1,4,5,8-tetrahexoxyanthracene
CID 101142141
[4-(dimethylsulfoniomethyl)-2,5-diheptoxyphenyl]methyl-dimethylsulfanium
CID 88515792

Frequently Asked Questions

What is the IUPAC name of 3,4-didecoxyfuran?
The IUPAC name of 3,4-didecoxyfuran (CID 172804324) is 3,4-didecoxyfuran.
What is the SMILES notation for 3,4-didecoxyfuran?
The canonical SMILES for 3,4-didecoxyfuran is CCCCCCCCCCOc1cocc1OCCCCCCCCCC.
What is the InChIKey of 3,4-didecoxyfuran?
The InChIKey is RHIGPVSPEBKDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O3/c1-3-5-7-9-11-13-15-17-19-26-23-21-25-22-24(23)27-20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3.
What are the key properties of 3,4-didecoxyfuran?
3,4-didecoxyfuran has a molecular weight of 380.61 g/mol, XLogP of 8.32, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-didecoxyfuran is sourced from PubChem (CID 172804324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).