3-(2-bromo-1-ethoxyethoxy)-4-methylpent-1-ene

C10H19BrO2 — CID 10514870

IUPAC3-(2-bromo-1-ethoxyethoxy)-4-methylpent-1-ene
SMILESC=CC(OC(CBr)OCC)C(C)C
InChIInChI=1S/C10H19BrO2/c1-5-9(8(3)4)13-10(7-11)12-6-2/h5,8-10H,1,6-7H2,2-4H3
InChIKeyPAPNQXXMYFVSHF-UHFFFAOYSA-N
MW251.16 g/mol
LogP2.97
Rot. Bonds7

About 3-(2-bromo-1-ethoxyethoxy)-4-methylpent-1-ene

3-(2-bromo-1-ethoxyethoxy)-4-methylpent-1-ene (PubChem CID 10514870) has the molecular formula C10H19BrO2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 3-(2-bromo-1-ethoxyethoxy)-4-methylpent-1-ene.

Molecular Properties

Compound Name3-(2-bromo-1-ethoxyethoxy)-4-methylpent-1-ene
PubChem CID10514870
Molecular FormulaC10H19BrO2
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Name3-(2-bromo-1-ethoxyethoxy)-4-methylpent-1-ene
SMILESC=CC(OC(CBr)OCC)C(C)C
InChIInChI=1S/C10H19BrO2/c1-5-9(8(3)4)13-10(7-11)12-6-2/h5,8-10H,1,6-7H2,2-4H3
InChIKeyPAPNQXXMYFVSHF-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 52.97
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 3-(2-bromo-1-ethoxyethoxy)-4-methylpent-1-ene 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)penta-1,4-diene
CID 85772175
(3R)-3-(2-bromo-1-ethoxyethoxy)hept-1-ene
CID 56945377
(E)-3-(2-bromo-1-ethoxyethoxy)-2-methyloct-4-ene
CID 134937705
(E)-2-(2-bromo-1-ethoxyethoxy)hept-3-ene
CID 134986080
3-(2-Bromo-1-ethoxy-2-methylpropoxy)penta-1,4-diene
CID 85772177
2-Bromo-1-ethoxy-3-methyl-1-penta-1,4-dien-3-yloxybutane
CID 85772179
(E)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene
CID 20389674
(E,3R)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene
CID 88794934
(E,3S)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene
CID 88795158
3-(1-Methoxy-2,2-dimethylpropoxy)-4,4-dimethylpent-1-ene
CID 121371910
3-(2-Bromo-1-ethoxyethoxy)-4-methylcyclopentene
CID 166569639
3-(2-Bromo-1-propoxyethoxy)-4-methylcyclopentene
CID 166569668

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-1-ethoxyethoxy)-4-methylpent-1-ene?
The IUPAC name of 3-(2-bromo-1-ethoxyethoxy)-4-methylpent-1-ene (CID 10514870) is 3-(2-bromo-1-ethoxyethoxy)-4-methylpent-1-ene.
What is the SMILES notation for 3-(2-bromo-1-ethoxyethoxy)-4-methylpent-1-ene?
The canonical SMILES for 3-(2-bromo-1-ethoxyethoxy)-4-methylpent-1-ene is C=CC(OC(CBr)OCC)C(C)C.
What is the InChIKey of 3-(2-bromo-1-ethoxyethoxy)-4-methylpent-1-ene?
The InChIKey is PAPNQXXMYFVSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO2/c1-5-9(8(3)4)13-10(7-11)12-6-2/h5,8-10H,1,6-7H2,2-4H3.
What are the key properties of 3-(2-bromo-1-ethoxyethoxy)-4-methylpent-1-ene?
3-(2-bromo-1-ethoxyethoxy)-4-methylpent-1-ene has a molecular weight of 251.16 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-1-ethoxyethoxy)-4-methylpent-1-ene is sourced from PubChem (CID 10514870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).