6-(5-bromofuran-2-carbonyl)oxyhexyl 5-bromofuran-2-carboxylate

C16H16Br2O6 — CID 4926795

IUPAC6-(5-bromofuran-2-carbonyl)oxyhexyl 5-bromofuran-2-carboxylate
SMILESO=C(OCCCCCCOC(=O)c1ccc(Br)o1)c1ccc(Br)o1
InChIInChI=1S/C16H16Br2O6/c17-13-7-5-11(23-13)15(19)21-9-3-1-2-4-10-22-16(20)12-6-8-14(18)24-12/h5-8H,1-4,9-10H2
InChIKeyROVXZWXZZLMKMD-UHFFFAOYSA-N
MW464.11 g/mol
LogP4.97
Rot. Bonds9

About 6-(5-bromofuran-2-carbonyl)oxyhexyl 5-bromofuran-2-carboxylate

6-(5-bromofuran-2-carbonyl)oxyhexyl 5-bromofuran-2-carboxylate (PubChem CID 4926795) has the molecular formula C16H16Br2O6 and a molecular weight of 464.11 g/mol. Its IUPAC name is 6-(5-bromofuran-2-carbonyl)oxyhexyl 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name6-(5-bromofuran-2-carbonyl)oxyhexyl 5-bromofuran-2-carboxylate
PubChem CID4926795
Molecular FormulaC16H16Br2O6
Molecular Weight464.11 g/mol
Exact Mass461.93
IUPAC Name6-(5-bromofuran-2-carbonyl)oxyhexyl 5-bromofuran-2-carboxylate
SMILESO=C(OCCCCCCOC(=O)c1ccc(Br)o1)c1ccc(Br)o1
InChIInChI=1S/C16H16Br2O6/c17-13-7-5-11(23-13)15(19)21-9-3-1-2-4-10-22-16(20)12-6-8-14(18)24-12/h5-8H,1-4,9-10H2
InChIKeyROVXZWXZZLMKMD-UHFFFAOYSA-N
XLogP4.97
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.11
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(6-methylheptyl) furan-2,5-dicarboxylate
CID 126569599
2-(4-nitrophenoxy)ethyl 5-bromofuran-2-carboxylate
CID 612517
[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2390481
3-(carbamoylamino)propyl 5-chlorofuran-2-carboxylate
CID 71987892
octyl 5-nitrofuran-2-carboxylate
CID 5106395
tert-butyl 5-bromofuran-2-carboxylate
CID 18788676
λ2-stannane;(2-methyl-2-phenylpropyl) 5-bromofuran-2-carboxylate
CID 175022019
3-methoxypropyl 5-acetylfuran-2-carboxylate
CID 90295960
1-(5-bromofuran-2-yl)-4-methoxybutan-1-one
CID 115815449
6-methylhept-6-enyl 5-propan-2-ylfuran-2-carboxylate
CID 126490200
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573758
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573846

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromofuran-2-carbonyl)oxyhexyl 5-bromofuran-2-carboxylate?
The IUPAC name of 6-(5-bromofuran-2-carbonyl)oxyhexyl 5-bromofuran-2-carboxylate (CID 4926795) is 6-(5-bromofuran-2-carbonyl)oxyhexyl 5-bromofuran-2-carboxylate.
What is the SMILES notation for 6-(5-bromofuran-2-carbonyl)oxyhexyl 5-bromofuran-2-carboxylate?
The canonical SMILES for 6-(5-bromofuran-2-carbonyl)oxyhexyl 5-bromofuran-2-carboxylate is O=C(OCCCCCCOC(=O)c1ccc(Br)o1)c1ccc(Br)o1.
What is the InChIKey of 6-(5-bromofuran-2-carbonyl)oxyhexyl 5-bromofuran-2-carboxylate?
The InChIKey is ROVXZWXZZLMKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O6/c17-13-7-5-11(23-13)15(19)21-9-3-1-2-4-10-22-16(20)12-6-8-14(18)24-12/h5-8H,1-4,9-10H2.
What are the key properties of 6-(5-bromofuran-2-carbonyl)oxyhexyl 5-bromofuran-2-carboxylate?
6-(5-bromofuran-2-carbonyl)oxyhexyl 5-bromofuran-2-carboxylate has a molecular weight of 464.11 g/mol, XLogP of 4.97, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromofuran-2-carbonyl)oxyhexyl 5-bromofuran-2-carboxylate is sourced from PubChem (CID 4926795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).