2-[5-(1-bromohexan-2-yloxy)pentyl]furan

C15H25BrO2 — CID 57221819

IUPAC2-[5-(1-bromohexan-2-yloxy)pentyl]furan
SMILESCCCCC(CBr)OCCCCCc1ccco1
InChIInChI=1S/C15H25BrO2/c1-2-3-8-15(13-16)18-11-6-4-5-9-14-10-7-12-17-14/h7,10,12,15H,2-6,8-9,11,13H2,1H3
InChIKeyGHOWAFJQKFGLIE-UHFFFAOYSA-N
MW317.27 g/mol
LogP4.96
Rot. Bonds11

About 2-[5-(1-bromohexan-2-yloxy)pentyl]furan

2-[5-(1-bromohexan-2-yloxy)pentyl]furan (PubChem CID 57221819) has the molecular formula C15H25BrO2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 2-[5-(1-bromohexan-2-yloxy)pentyl]furan.

Molecular Properties

Compound Name2-[5-(1-bromohexan-2-yloxy)pentyl]furan
PubChem CID57221819
Molecular FormulaC15H25BrO2
Molecular Weight317.27 g/mol
Exact Mass316.10
IUPAC Name2-[5-(1-bromohexan-2-yloxy)pentyl]furan
SMILESCCCCC(CBr)OCCCCCc1ccco1
InChIInChI=1S/C15H25BrO2/c1-2-3-8-15(13-16)18-11-6-4-5-9-14-10-7-12-17-14/h7,10,12,15H,2-6,8-9,11,13H2,1H3
InChIKeyGHOWAFJQKFGLIE-UHFFFAOYSA-N
XLogP4.96
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methyloctyl)furan
CID 86091629
2-(hexan-2-yloxymethyl)furan
CID 141468564
ethane;2-(3-methoxypropyl)furan
CID 144595726
2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan
CID 67684448
6-(furan-2-yl)hexyl formate
CID 87852506
5-(furan-2-yl)pentyl formate
CID 87851919
2-non-4-ynylfuran
CID 102274443
2-octoxycarbonylbenzoic acid;2-octylfuran
CID 174741403
1-(furan-2-yl)hexan-2-ol
CID 83171633
11-(furan-2-yl)undecan-1-ol
CID 139763920
2-(3-methylhexyl)furan
CID 12840321
1-(furan-2-yl)-N-propyldodecan-3-amine
CID 105124522

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-bromohexan-2-yloxy)pentyl]furan?
The IUPAC name of 2-[5-(1-bromohexan-2-yloxy)pentyl]furan (CID 57221819) is 2-[5-(1-bromohexan-2-yloxy)pentyl]furan.
What is the SMILES notation for 2-[5-(1-bromohexan-2-yloxy)pentyl]furan?
The canonical SMILES for 2-[5-(1-bromohexan-2-yloxy)pentyl]furan is CCCCC(CBr)OCCCCCc1ccco1.
What is the InChIKey of 2-[5-(1-bromohexan-2-yloxy)pentyl]furan?
The InChIKey is GHOWAFJQKFGLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrO2/c1-2-3-8-15(13-16)18-11-6-4-5-9-14-10-7-12-17-14/h7,10,12,15H,2-6,8-9,11,13H2,1H3.
What are the key properties of 2-[5-(1-bromohexan-2-yloxy)pentyl]furan?
2-[5-(1-bromohexan-2-yloxy)pentyl]furan has a molecular weight of 317.27 g/mol, XLogP of 4.96, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-bromohexan-2-yloxy)pentyl]furan is sourced from PubChem (CID 57221819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).