1-(bromomethyl)-1-(but-2-enoxymethyl)cyclopropane

C9H15BrO — CID 77052712

IUPAC1-(bromomethyl)-1-(but-2-enoxymethyl)cyclopropane
SMILESCC=CCOCC1(CBr)CC1
InChIInChI=1S/C9H15BrO/c1-2-3-6-11-8-9(7-10)4-5-9/h2-3H,4-8H2,1H3
InChIKeyJVDHXOSWKAVQDW-UHFFFAOYSA-N
MW219.12 g/mol
LogP2.75
Rot. Bonds5

About 1-(bromomethyl)-1-(but-2-enoxymethyl)cyclopropane

1-(bromomethyl)-1-(but-2-enoxymethyl)cyclopropane (PubChem CID 77052712) has the molecular formula C9H15BrO and a molecular weight of 219.12 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(but-2-enoxymethyl)cyclopropane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(but-2-enoxymethyl)cyclopropane
PubChem CID77052712
Molecular FormulaC9H15BrO
Molecular Weight219.12 g/mol
Exact Mass218.03
IUPAC Name1-(bromomethyl)-1-(but-2-enoxymethyl)cyclopropane
SMILESCC=CCOCC1(CBr)CC1
InChIInChI=1S/C9H15BrO/c1-2-3-6-11-8-9(7-10)4-5-9/h2-3H,4-8H2,1H3
InChIKeyJVDHXOSWKAVQDW-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 52.75
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(but-2-enoxymethyl)cyclopropane?
The IUPAC name of 1-(bromomethyl)-1-(but-2-enoxymethyl)cyclopropane (CID 77052712) is 1-(bromomethyl)-1-(but-2-enoxymethyl)cyclopropane.
What is the SMILES notation for 1-(bromomethyl)-1-(but-2-enoxymethyl)cyclopropane?
The canonical SMILES for 1-(bromomethyl)-1-(but-2-enoxymethyl)cyclopropane is CC=CCOCC1(CBr)CC1.
What is the InChIKey of 1-(bromomethyl)-1-(but-2-enoxymethyl)cyclopropane?
The InChIKey is JVDHXOSWKAVQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrO/c1-2-3-6-11-8-9(7-10)4-5-9/h2-3H,4-8H2,1H3.
What are the key properties of 1-(bromomethyl)-1-(but-2-enoxymethyl)cyclopropane?
1-(bromomethyl)-1-(but-2-enoxymethyl)cyclopropane has a molecular weight of 219.12 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(but-2-enoxymethyl)cyclopropane is sourced from PubChem (CID 77052712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).