2-(2-bromo-1-prop-2-enoxyethoxy)-2-methylpropane

C9H17BrO2 — CID 15416032

IUPAC2-(2-bromo-1-prop-2-enoxyethoxy)-2-methylpropane
SMILESC=CCOC(CBr)OC(C)(C)C
InChIInChI=1S/C9H17BrO2/c1-5-6-11-8(7-10)12-9(2,3)4/h5,8H,1,6-7H2,2-4H3
InChIKeyKNQLHCYIBDCFFH-UHFFFAOYSA-N
MW237.14 g/mol
LogP2.73
Rot. Bonds5

About 2-(2-bromo-1-prop-2-enoxyethoxy)-2-methylpropane

2-(2-bromo-1-prop-2-enoxyethoxy)-2-methylpropane (PubChem CID 15416032) has the molecular formula C9H17BrO2 and a molecular weight of 237.14 g/mol. Its IUPAC name is 2-(2-bromo-1-prop-2-enoxyethoxy)-2-methylpropane.

Molecular Properties

Compound Name2-(2-bromo-1-prop-2-enoxyethoxy)-2-methylpropane
PubChem CID15416032
Molecular FormulaC9H17BrO2
Molecular Weight237.14 g/mol
Exact Mass236.04
IUPAC Name2-(2-bromo-1-prop-2-enoxyethoxy)-2-methylpropane
SMILESC=CCOC(CBr)OC(C)(C)C
InChIInChI=1S/C9H17BrO2/c1-5-6-11-8(7-10)12-9(2,3)4/h5,8H,1,6-7H2,2-4H3
InChIKeyKNQLHCYIBDCFFH-UHFFFAOYSA-N
XLogP2.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2-bromo-1-prop-2-enoxyethoxy)-2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-Bromo-1-ethoxyethoxy)-4-methylpent-1-ene
CID 10514870
3-(2-Bromo-1-ethoxyethoxy)penta-1,4-diene
CID 85772175
(E)-4-bromo-1,1-diethoxy-2-methyl-2-butene
CID 13046223
1-(2-Bromo-1-prop-2-enoxyethoxy)butane
CID 10944454
(E)-1-bromo-3,3-diethoxyprop-1-ene
CID 13513773
Acrolein butyl t-butyl acetal
CID 129806096
(E)-2-(2-bromo-1-ethoxyethoxy)-2-methylhept-3-ene
CID 134936613
2-(2,2-Dibromo-1-buta-2,3-dienoxypropoxy)-2-methylpropane
CID 134993844
3-[(1R)-2-bromo-1-ethoxyethoxy]prop-1-ene
CID 139266085
3-(2-Bromo-1-ethoxyethoxy)-2-methylprop-1-ene
CID 11064044
3-(2-Bromo-1-ethoxy-2-methylpropoxy)penta-1,4-diene
CID 85772177
(E)-4-bromo-1,1-diethoxybut-2-ene
CID 14179247

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-1-prop-2-enoxyethoxy)-2-methylpropane?
The IUPAC name of 2-(2-bromo-1-prop-2-enoxyethoxy)-2-methylpropane (CID 15416032) is 2-(2-bromo-1-prop-2-enoxyethoxy)-2-methylpropane.
What is the SMILES notation for 2-(2-bromo-1-prop-2-enoxyethoxy)-2-methylpropane?
The canonical SMILES for 2-(2-bromo-1-prop-2-enoxyethoxy)-2-methylpropane is C=CCOC(CBr)OC(C)(C)C.
What is the InChIKey of 2-(2-bromo-1-prop-2-enoxyethoxy)-2-methylpropane?
The InChIKey is KNQLHCYIBDCFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrO2/c1-5-6-11-8(7-10)12-9(2,3)4/h5,8H,1,6-7H2,2-4H3.
What are the key properties of 2-(2-bromo-1-prop-2-enoxyethoxy)-2-methylpropane?
2-(2-bromo-1-prop-2-enoxyethoxy)-2-methylpropane has a molecular weight of 237.14 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-1-prop-2-enoxyethoxy)-2-methylpropane is sourced from PubChem (CID 15416032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).