2-(bromomethyl)-5-[1-[5-(bromomethyl)furan-2-yl]cyclohexyl]furan;2-methyl-5-[1-(5-methylfuran-2-yl)cyclohexyl]furan

C32H38Br2O4 — CID 159672200

IUPAC2-(bromomethyl)-5-[1-[5-(bromomethyl)furan-2-yl]cyclohexyl]furan;2-methyl-5-[1-(5-methylfuran-2-yl)cyclohexyl]furan
SMILESBrCc1ccc(C2(c3ccc(CBr)o3)CCCCC2)o1.Cc1ccc(C2(c3ccc(C)o3)CCCCC2)o1
InChIInChI=1S/C16H18Br2O2.C16H20O2/c17-10-12-4-6-14(19-12)16(8-2-1-3-9-16)15-7-5-13(11-18)20-15;1-12-6-8-14(17-12)16(10-4-3-5-11-16)15-9-7-13(2)18-15/h4-7H,1-3,8-11H2;6-9H,3-5,10-11H2,1-2H3
InChIKeyMUDHFGAXMAUXQL-UHFFFAOYSA-N
MW646.46 g/mol
LogP10.65
Rot. Bonds6

About 2-(bromomethyl)-5-[1-[5-(bromomethyl)furan-2-yl]cyclohexyl]furan;2-methyl-5-[1-(5-methylfuran-2-yl)cyclohexyl]furan

2-(bromomethyl)-5-[1-[5-(bromomethyl)furan-2-yl]cyclohexyl]furan;2-methyl-5-[1-(5-methylfuran-2-yl)cyclohexyl]furan (PubChem CID 159672200) has the molecular formula C32H38Br2O4 and a molecular weight of 646.46 g/mol. Its IUPAC name is 2-(bromomethyl)-5-[1-[5-(bromomethyl)furan-2-yl]cyclohexyl]furan;2-methyl-5-[1-(5-methylfuran-2-yl)cyclohexyl]furan.

Molecular Properties

Compound Name2-(bromomethyl)-5-[1-[5-(bromomethyl)furan-2-yl]cyclohexyl]furan;2-methyl-5-[1-(5-methylfuran-2-yl)cyclohexyl]furan
PubChem CID159672200
Molecular FormulaC32H38Br2O4
Molecular Weight646.46 g/mol
Exact Mass644.11
IUPAC Name2-(bromomethyl)-5-[1-[5-(bromomethyl)furan-2-yl]cyclohexyl]furan;2-methyl-5-[1-(5-methylfuran-2-yl)cyclohexyl]furan
SMILESBrCc1ccc(C2(c3ccc(CBr)o3)CCCCC2)o1.Cc1ccc(C2(c3ccc(C)o3)CCCCC2)o1
InChIInChI=1S/C16H18Br2O2.C16H20O2/c17-10-12-4-6-14(19-12)16(8-2-1-3-9-16)15-7-5-13(11-18)20-15;1-12-6-8-14(17-12)16(10-4-3-5-11-16)15-9-7-13(2)18-15/h4-7H,1-3,8-11H2;6-9H,3-5,10-11H2,1-2H3
InChIKeyMUDHFGAXMAUXQL-UHFFFAOYSA-N
XLogP10.65
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.46
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-5-[1-[5-(bromomethyl)furan-2-yl]cyclohexyl]furan;2-methyl-5-[1-(5-methylfuran-2-yl)cyclohexyl]furan with MolForge

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Related Compounds

1-(5-methylfuran-2-yl)cyclopentan-1-amine
CID 96736840
cyclopropane;ethane;2-ethyl-5-methylfuran
CID 142234007
4-(bromomethyl)-4-(5-methylfuran-2-yl)oxane
CID 83693529
2-methyl-2-(5-methylfuran-2-yl)piperidine
CID 117271321
1-[1-(5-methylfuran-2-yl)cyclohexyl]piperidine
CID 97355679
2-[(1R)-3,3-bis(5-methylfuran-2-yl)cyclohexyl]-5-methylfuran
CID 7057516
acetylene;cyclopropane;ethane;2-ethyl-5-methylfuran
CID 142234072
[1-(5-methylfuran-2-yl)cyclopropyl]methanamine
CID 96733818
2-[1-(aminomethyl)cyclohexyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 104678131
1-[1-(5-methylfuran-2-yl)cyclopropyl]cyclopropan-1-amine
CID 83683243
[2-(5-methylfuran-2-yl)pyrrolidin-2-yl]methanol
CID 115103335
N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methylfuran-2-carboxamide
CID 113359960

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-[1-[5-(bromomethyl)furan-2-yl]cyclohexyl]furan;2-methyl-5-[1-(5-methylfuran-2-yl)cyclohexyl]furan?
The IUPAC name of 2-(bromomethyl)-5-[1-[5-(bromomethyl)furan-2-yl]cyclohexyl]furan;2-methyl-5-[1-(5-methylfuran-2-yl)cyclohexyl]furan (CID 159672200) is 2-(bromomethyl)-5-[1-[5-(bromomethyl)furan-2-yl]cyclohexyl]furan;2-methyl-5-[1-(5-methylfuran-2-yl)cyclohexyl]furan.
What is the SMILES notation for 2-(bromomethyl)-5-[1-[5-(bromomethyl)furan-2-yl]cyclohexyl]furan;2-methyl-5-[1-(5-methylfuran-2-yl)cyclohexyl]furan?
The canonical SMILES for 2-(bromomethyl)-5-[1-[5-(bromomethyl)furan-2-yl]cyclohexyl]furan;2-methyl-5-[1-(5-methylfuran-2-yl)cyclohexyl]furan is BrCc1ccc(C2(c3ccc(CBr)o3)CCCCC2)o1.Cc1ccc(C2(c3ccc(C)o3)CCCCC2)o1.
What is the InChIKey of 2-(bromomethyl)-5-[1-[5-(bromomethyl)furan-2-yl]cyclohexyl]furan;2-methyl-5-[1-(5-methylfuran-2-yl)cyclohexyl]furan?
The InChIKey is MUDHFGAXMAUXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Br2O2.C16H20O2/c17-10-12-4-6-14(19-12)16(8-2-1-3-9-16)15-7-5-13(11-18)20-15;1-12-6-8-14(17-12)16(10-4-3-5-11-16)15-9-7-13(2)18-15/h4-7H,1-3,8-11H2;6-9H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(bromomethyl)-5-[1-[5-(bromomethyl)furan-2-yl]cyclohexyl]furan;2-methyl-5-[1-(5-methylfuran-2-yl)cyclohexyl]furan?
2-(bromomethyl)-5-[1-[5-(bromomethyl)furan-2-yl]cyclohexyl]furan;2-methyl-5-[1-(5-methylfuran-2-yl)cyclohexyl]furan has a molecular weight of 646.46 g/mol, XLogP of 10.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-[1-[5-(bromomethyl)furan-2-yl]cyclohexyl]furan;2-methyl-5-[1-(5-methylfuran-2-yl)cyclohexyl]furan is sourced from PubChem (CID 159672200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).