3-bromopropoxycyclobutane

C7H13BrO — CID 62141961

IUPAC3-bromopropoxycyclobutane
SMILESBrCCCOC1CCC1
InChIInChI=1S/C7H13BrO/c8-5-2-6-9-7-3-1-4-7/h7H,1-6H2
InChIKeyIXKZKEUZDBWXGF-UHFFFAOYSA-N
MW193.08 g/mol
LogP2.34
Rot. Bonds4

About 3-bromopropoxycyclobutane

3-bromopropoxycyclobutane (PubChem CID 62141961) has the molecular formula C7H13BrO and a molecular weight of 193.08 g/mol. Its IUPAC name is 3-bromopropoxycyclobutane.

Molecular Properties

Compound Name3-bromopropoxycyclobutane
PubChem CID62141961
Molecular FormulaC7H13BrO
Molecular Weight193.08 g/mol
Exact Mass192.01
IUPAC Name3-bromopropoxycyclobutane
SMILESBrCCCOC1CCC1
InChIInChI=1S/C7H13BrO/c8-5-2-6-9-7-3-1-4-7/h7H,1-6H2
InChIKeyIXKZKEUZDBWXGF-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 52.34
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 3-bromopropoxycyclobutane?
The IUPAC name of 3-bromopropoxycyclobutane (CID 62141961) is 3-bromopropoxycyclobutane.
What is the SMILES notation for 3-bromopropoxycyclobutane?
The canonical SMILES for 3-bromopropoxycyclobutane is BrCCCOC1CCC1.
What is the InChIKey of 3-bromopropoxycyclobutane?
The InChIKey is IXKZKEUZDBWXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO/c8-5-2-6-9-7-3-1-4-7/h7H,1-6H2.
What are the key properties of 3-bromopropoxycyclobutane?
3-bromopropoxycyclobutane has a molecular weight of 193.08 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropoxycyclobutane is sourced from PubChem (CID 62141961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).