1-bromo-3-propan-2-yloxycyclobutane

C7H13BrO — CID 66344883

IUPAC1-bromo-3-propan-2-yloxycyclobutane
SMILESCC(C)OC1CC(Br)C1
InChIInChI=1S/C7H13BrO/c1-5(2)9-7-3-6(8)4-7/h5-7H,3-4H2,1-2H3
InChIKeyPUUNSDZYLLOLQK-UHFFFAOYSA-N
MW193.08 g/mol
LogP2.34
Rot. Bonds2

About 1-bromo-3-propan-2-yloxycyclobutane

1-bromo-3-propan-2-yloxycyclobutane (PubChem CID 66344883) has the molecular formula C7H13BrO and a molecular weight of 193.08 g/mol. Its IUPAC name is 1-bromo-3-propan-2-yloxycyclobutane.

Molecular Properties

Compound Name1-bromo-3-propan-2-yloxycyclobutane
PubChem CID66344883
Molecular FormulaC7H13BrO
Molecular Weight193.08 g/mol
Exact Mass192.01
IUPAC Name1-bromo-3-propan-2-yloxycyclobutane
SMILESCC(C)OC1CC(Br)C1
InChIInChI=1S/C7H13BrO/c1-5(2)9-7-3-6(8)4-7/h5-7H,3-4H2,1-2H3
InChIKeyPUUNSDZYLLOLQK-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-propan-2-yloxycyclobutane?
The IUPAC name of 1-bromo-3-propan-2-yloxycyclobutane (CID 66344883) is 1-bromo-3-propan-2-yloxycyclobutane.
What is the SMILES notation for 1-bromo-3-propan-2-yloxycyclobutane?
The canonical SMILES for 1-bromo-3-propan-2-yloxycyclobutane is CC(C)OC1CC(Br)C1.
What is the InChIKey of 1-bromo-3-propan-2-yloxycyclobutane?
The InChIKey is PUUNSDZYLLOLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO/c1-5(2)9-7-3-6(8)4-7/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-bromo-3-propan-2-yloxycyclobutane?
1-bromo-3-propan-2-yloxycyclobutane has a molecular weight of 193.08 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-propan-2-yloxycyclobutane is sourced from PubChem (CID 66344883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).