6-bromo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

C7H11BrO — CID 13220760

IUPAC6-bromo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESBrC1CCC2CCOC12
InChIInChI=1S/C7H11BrO/c8-6-2-1-5-3-4-9-7(5)6/h5-7H,1-4H2
InChIKeyZSNADKOSNHGXRF-UHFFFAOYSA-N
MW191.07 g/mol
LogP1.95
Rot. Bonds

About 6-bromo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

6-bromo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (PubChem CID 13220760) has the molecular formula C7H11BrO and a molecular weight of 191.07 g/mol. Its IUPAC name is 6-bromo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name6-bromo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
PubChem CID13220760
Molecular FormulaC7H11BrO
Molecular Weight191.07 g/mol
Exact Mass190.00
IUPAC Name6-bromo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESBrC1CCC2CCOC12
InChIInChI=1S/C7H11BrO/c8-6-2-1-5-3-4-9-7(5)6/h5-7H,1-4H2
InChIKeyZSNADKOSNHGXRF-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-bromo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan with MolForge

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Related Compounds

(3aR,6aR)-2-(bromomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 12857357
(3aR,5S,6aS)-5-bromo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 45098667
(3aS,6aS)-2-(bromomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 102368946
(3aR,6aS)-2-(bromomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 102368950
(3aS,6aR)-2-(bromomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 102368951
2-(3-bromopropyl)-hexahydro-2H-cyclopenta[b]furan
CID 165443547

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The IUPAC name of 6-bromo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (CID 13220760) is 6-bromo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for 6-bromo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The canonical SMILES for 6-bromo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is BrC1CCC2CCOC12.
What is the InChIKey of 6-bromo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The InChIKey is ZSNADKOSNHGXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrO/c8-6-2-1-5-3-4-9-7(5)6/h5-7H,1-4H2.
What are the key properties of 6-bromo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
6-bromo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan has a molecular weight of 191.07 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 13220760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).