2-(3-bromopropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

C10H17BrO — CID 165443547

IUPAC2-(3-bromopropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESBrCCCC1CC2CCCC2O1
InChIInChI=1S/C10H17BrO/c11-6-2-4-9-7-8-3-1-5-10(8)12-9/h8-10H,1-7H2
InChIKeyNSPRQLYSXDXAJN-UHFFFAOYSA-N
MW233.15 g/mol
LogP3.12
Rot. Bonds3

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

2-(3-bromopropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (PubChem CID 165443547) has the molecular formula C10H17BrO and a molecular weight of 233.15 g/mol. Its IUPAC name is 2-(3-bromopropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name2-(3-bromopropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
PubChem CID165443547
Molecular FormulaC10H17BrO
Molecular Weight233.15 g/mol
Exact Mass232.05
IUPAC Name2-(3-bromopropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESBrCCCC1CC2CCCC2O1
InChIInChI=1S/C10H17BrO/c11-6-2-4-9-7-8-3-1-5-10(8)12-9/h8-10H,1-7H2
InChIKeyNSPRQLYSXDXAJN-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The IUPAC name of 2-(3-bromopropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (CID 165443547) is 2-(3-bromopropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for 2-(3-bromopropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The canonical SMILES for 2-(3-bromopropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is BrCCCC1CC2CCCC2O1.
What is the InChIKey of 2-(3-bromopropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The InChIKey is NSPRQLYSXDXAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO/c11-6-2-4-9-7-8-3-1-5-10(8)12-9/h8-10H,1-7H2.
What are the key properties of 2-(3-bromopropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
2-(3-bromopropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan has a molecular weight of 233.15 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 165443547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).