4-bromobutoxycyclobutane

C8H15BrO — CID 62142153

IUPAC4-bromobutoxycyclobutane
SMILESBrCCCCOC1CCC1
InChIInChI=1S/C8H15BrO/c9-6-1-2-7-10-8-4-3-5-8/h8H,1-7H2
InChIKeyFHNQLHUMPGWGEO-UHFFFAOYSA-N
MW207.11 g/mol
LogP2.73
Rot. Bonds5

About 4-bromobutoxycyclobutane

4-bromobutoxycyclobutane (PubChem CID 62142153) has the molecular formula C8H15BrO and a molecular weight of 207.11 g/mol. Its IUPAC name is 4-bromobutoxycyclobutane.

Molecular Properties

Compound Name4-bromobutoxycyclobutane
PubChem CID62142153
Molecular FormulaC8H15BrO
Molecular Weight207.11 g/mol
Exact Mass206.03
IUPAC Name4-bromobutoxycyclobutane
SMILESBrCCCCOC1CCC1
InChIInChI=1S/C8H15BrO/c9-6-1-2-7-10-8-4-3-5-8/h8H,1-7H2
InChIKeyFHNQLHUMPGWGEO-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromobutoxycyclobutane?
The IUPAC name of 4-bromobutoxycyclobutane (CID 62142153) is 4-bromobutoxycyclobutane.
What is the SMILES notation for 4-bromobutoxycyclobutane?
The canonical SMILES for 4-bromobutoxycyclobutane is BrCCCCOC1CCC1.
What is the InChIKey of 4-bromobutoxycyclobutane?
The InChIKey is FHNQLHUMPGWGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO/c9-6-1-2-7-10-8-4-3-5-8/h8H,1-7H2.
What are the key properties of 4-bromobutoxycyclobutane?
4-bromobutoxycyclobutane has a molecular weight of 207.11 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobutoxycyclobutane is sourced from PubChem (CID 62142153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).