2-(bromomethyl)-3-methoxyprop-1-ene

C5H9BrO — CID 58060002

IUPAC2-(bromomethyl)-3-methoxyprop-1-ene
SMILESC=C(CBr)COC
InChIInChI=1S/C5H9BrO/c1-5(3-6)4-7-2/h1,3-4H2,2H3
InChIKeyVXLZGECARQBVQX-UHFFFAOYSA-N
MW165.03 g/mol
LogP1.58
Rot. Bonds3

About 2-(bromomethyl)-3-methoxyprop-1-ene

2-(bromomethyl)-3-methoxyprop-1-ene (PubChem CID 58060002) has the molecular formula C5H9BrO and a molecular weight of 165.03 g/mol. Its IUPAC name is 2-(bromomethyl)-3-methoxyprop-1-ene.

Molecular Properties

Compound Name2-(bromomethyl)-3-methoxyprop-1-ene
PubChem CID58060002
Molecular FormulaC5H9BrO
Molecular Weight165.03 g/mol
Exact Mass163.98
IUPAC Name2-(bromomethyl)-3-methoxyprop-1-ene
SMILESC=C(CBr)COC
InChIInChI=1S/C5H9BrO/c1-5(3-6)4-7-2/h1,3-4H2,2H3
InChIKeyVXLZGECARQBVQX-UHFFFAOYSA-N
XLogP1.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.03
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-(bromomethyl)prop-1-ene
CID 10965866
methyl 3-(bromomethyl)but-3-enoate
CID 46201260
2-(methoxymethyl)-N-methyl-N-phosphanylprop-2-en-1-amine
CID 143995884
bromo(methoxy)methane;methanol
CID 175191460
2-(methoxymethyl)prop-2-enenitrile
CID 13279677
ethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene
CID 143500367
2-(chloromethyl)-3-(2-methoxyethoxy)prop-1-ene
CID 10888272
methane;1-methoxy-3-methylbut-3-en-2-one
CID 159886470
2-(bromomethyl)prop-2-enyl-tripropoxysilane
CID 139922141
2-(methoxymethyl)-4-methylpent-1-en-3-amine
CID 130921121
1-methoxy-3-(3-methylbut-3-enoxy)propan-2-one
CID 107508235
methoxyethane;1-methoxypropan-2-one
CID 159894285

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-methoxyprop-1-ene?
The IUPAC name of 2-(bromomethyl)-3-methoxyprop-1-ene (CID 58060002) is 2-(bromomethyl)-3-methoxyprop-1-ene.
What is the SMILES notation for 2-(bromomethyl)-3-methoxyprop-1-ene?
The canonical SMILES for 2-(bromomethyl)-3-methoxyprop-1-ene is C=C(CBr)COC.
What is the InChIKey of 2-(bromomethyl)-3-methoxyprop-1-ene?
The InChIKey is VXLZGECARQBVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrO/c1-5(3-6)4-7-2/h1,3-4H2,2H3.
What are the key properties of 2-(bromomethyl)-3-methoxyprop-1-ene?
2-(bromomethyl)-3-methoxyprop-1-ene has a molecular weight of 165.03 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-methoxyprop-1-ene is sourced from PubChem (CID 58060002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).