3,3-bis(1-bromopropyl)oxetane

C9H16Br2O — CID 155068849

IUPAC3,3-bis(1-bromopropyl)oxetane
SMILESCCC(Br)C1(C(Br)CC)COC1
InChIInChI=1S/C9H16Br2O/c1-3-7(10)9(5-12-6-9)8(11)4-2/h7-8H,3-6H2,1-2H3
InChIKeyUCNKNQGJPLHTKV-UHFFFAOYSA-N
MW300.03 g/mol
LogP3.35
Rot. Bonds4

About 3,3-bis(1-bromopropyl)oxetane

3,3-bis(1-bromopropyl)oxetane (PubChem CID 155068849) has the molecular formula C9H16Br2O and a molecular weight of 300.03 g/mol. Its IUPAC name is 3,3-bis(1-bromopropyl)oxetane.

Molecular Properties

Compound Name3,3-bis(1-bromopropyl)oxetane
PubChem CID155068849
Molecular FormulaC9H16Br2O
Molecular Weight300.03 g/mol
Exact Mass297.96
IUPAC Name3,3-bis(1-bromopropyl)oxetane
SMILESCCC(Br)C1(C(Br)CC)COC1
InChIInChI=1S/C9H16Br2O/c1-3-7(10)9(5-12-6-9)8(11)4-2/h7-8H,3-6H2,1-2H3
InChIKeyUCNKNQGJPLHTKV-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.03
LogP ≤ 53.35
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 3,3-bis(1-bromopropyl)oxetane?
The IUPAC name of 3,3-bis(1-bromopropyl)oxetane (CID 155068849) is 3,3-bis(1-bromopropyl)oxetane.
What is the SMILES notation for 3,3-bis(1-bromopropyl)oxetane?
The canonical SMILES for 3,3-bis(1-bromopropyl)oxetane is CCC(Br)C1(C(Br)CC)COC1.
What is the InChIKey of 3,3-bis(1-bromopropyl)oxetane?
The InChIKey is UCNKNQGJPLHTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Br2O/c1-3-7(10)9(5-12-6-9)8(11)4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 3,3-bis(1-bromopropyl)oxetane?
3,3-bis(1-bromopropyl)oxetane has a molecular weight of 300.03 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(1-bromopropyl)oxetane is sourced from PubChem (CID 155068849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).