2-[6-bromo-1-(2-methoxypropan-2-yloxy)hexyl]furan

C14H23BrO3 — CID 57275078

IUPAC2-[6-bromo-1-(2-methoxypropan-2-yloxy)hexyl]furan
SMILESCOC(C)(C)OC(CCCCCBr)c1ccco1
InChIInChI=1S/C14H23BrO3/c1-14(2,16-3)18-13(8-5-4-6-10-15)12-9-7-11-17-12/h7,9,11,13H,4-6,8,10H2,1-3H3
InChIKeyWQAURISOGDHGSU-UHFFFAOYSA-N
MW319.24 g/mol
LogP4.68
Rot. Bonds9

About 2-[6-bromo-1-(2-methoxypropan-2-yloxy)hexyl]furan

2-[6-bromo-1-(2-methoxypropan-2-yloxy)hexyl]furan (PubChem CID 57275078) has the molecular formula C14H23BrO3 and a molecular weight of 319.24 g/mol. Its IUPAC name is 2-[6-bromo-1-(2-methoxypropan-2-yloxy)hexyl]furan.

Molecular Properties

Compound Name2-[6-bromo-1-(2-methoxypropan-2-yloxy)hexyl]furan
PubChem CID57275078
Molecular FormulaC14H23BrO3
Molecular Weight319.24 g/mol
Exact Mass318.08
IUPAC Name2-[6-bromo-1-(2-methoxypropan-2-yloxy)hexyl]furan
SMILESCOC(C)(C)OC(CCCCCBr)c1ccco1
InChIInChI=1S/C14H23BrO3/c1-14(2,16-3)18-13(8-5-4-6-10-15)12-9-7-11-17-12/h7,9,11,13H,4-6,8,10H2,1-3H3
InChIKeyWQAURISOGDHGSU-UHFFFAOYSA-N
XLogP4.68
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[8-bromo-1-(2-methoxypropan-2-yloxy)octyl]furan
CID 57113933
6-[tert-butyl(dimethyl)silyl]oxy-6-(furan-2-yl)hexan-1-ol
CID 11415303
tert-butyl-[(1S)-1-(furan-2-yl)tridecoxy]-diphenylsilane
CID 71816566
1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol
CID 103027526
2-(2-ethoxy-1-methoxyethyl)furan
CID 573718
2-[1-(furan-2-yl)pentoxy]ethanol
CID 162405799
1-(furan-2-yl)decan-1-ol
CID 11085452
2-nonan-2-ylfuran
CID 160791396
1-(furan-2-yl)decan-1-amine
CID 62716123
(1S)-1-(furan-2-yl)octan-1-amine
CID 98686139
5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide
CID 107908289
1-(furan-2-yl)-4-methoxybutan-1-amine
CID 62716134

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-1-(2-methoxypropan-2-yloxy)hexyl]furan?
The IUPAC name of 2-[6-bromo-1-(2-methoxypropan-2-yloxy)hexyl]furan (CID 57275078) is 2-[6-bromo-1-(2-methoxypropan-2-yloxy)hexyl]furan.
What is the SMILES notation for 2-[6-bromo-1-(2-methoxypropan-2-yloxy)hexyl]furan?
The canonical SMILES for 2-[6-bromo-1-(2-methoxypropan-2-yloxy)hexyl]furan is COC(C)(C)OC(CCCCCBr)c1ccco1.
What is the InChIKey of 2-[6-bromo-1-(2-methoxypropan-2-yloxy)hexyl]furan?
The InChIKey is WQAURISOGDHGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrO3/c1-14(2,16-3)18-13(8-5-4-6-10-15)12-9-7-11-17-12/h7,9,11,13H,4-6,8,10H2,1-3H3.
What are the key properties of 2-[6-bromo-1-(2-methoxypropan-2-yloxy)hexyl]furan?
2-[6-bromo-1-(2-methoxypropan-2-yloxy)hexyl]furan has a molecular weight of 319.24 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-1-(2-methoxypropan-2-yloxy)hexyl]furan is sourced from PubChem (CID 57275078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).