(E)-4-bromo-1,1-dimethoxybut-2-ene

C6H11BrO2 — CID 11241001

IUPAC(E)-4-bromo-1,1-dimethoxybut-2-ene
SMILESCOC(/C=C/CBr)OC
InChIInChI=1S/C6H11BrO2/c1-8-6(9-2)4-3-5-7/h3-4,6H,5H2,1-2H3/b4-3+
InChIKeyMOZFVZIBEWQCQW-ONEGZZNKSA-N
MW195.06 g/mol
LogP1.56
Rot. Bonds4

About (E)-4-bromo-1,1-dimethoxybut-2-ene

(E)-4-bromo-1,1-dimethoxybut-2-ene (PubChem CID 11241001) has the molecular formula C6H11BrO2 and a molecular weight of 195.06 g/mol. Its IUPAC name is (E)-4-bromo-1,1-dimethoxybut-2-ene.

Molecular Properties

Compound Name(E)-4-bromo-1,1-dimethoxybut-2-ene
PubChem CID11241001
Molecular FormulaC6H11BrO2
Molecular Weight195.06 g/mol
Exact Mass193.99
IUPAC Name(E)-4-bromo-1,1-dimethoxybut-2-ene
SMILESCOC(/C=C/CBr)OC
InChIInChI=1S/C6H11BrO2/c1-8-6(9-2)4-3-5-7/h3-4,6H,5H2,1-2H3/b4-3+
InChIKeyMOZFVZIBEWQCQW-ONEGZZNKSA-N
XLogP1.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 51.56
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'}

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Related Compounds

2-Butene, 1,1-dimethoxy-
CID 5367935
4,4-Dimeth-oxy-2-butene
CID 30873
1,1-Bis(allyloxy)-2-bromo-2-butene
CID 5469951
3-Bromo-2,5-dimethoxy-2,5-dihydrofuran
CID 11160099
2-(Bromomethyl)-4,7-dihydro-2H-1,3-dioxepine
CID 10420115
(E)-1,1,4-trimethoxybut-2-ene
CID 10486990
(E)-1-bromo-3,3-diethoxyprop-1-ene
CID 13513773
1,1,4-Trimethoxy-2-butene
CID 85156998
(E)-2-bromo-1-(methoxymethoxy)but-2-ene
CID 139030403
3-[(1R)-2-bromo-1-ethoxyethoxy]prop-1-ene
CID 139266085
(1Z,3E)-1-bromo-5,5-dimethoxypenta-1,3-diene
CID 10608390
(1E,3E,5Z)-1-bromo-7,7-diethoxyhepta-1,3,5-triene
CID 11402739

Frequently Asked Questions

What is the IUPAC name of (E)-4-bromo-1,1-dimethoxybut-2-ene?
The IUPAC name of (E)-4-bromo-1,1-dimethoxybut-2-ene (CID 11241001) is (E)-4-bromo-1,1-dimethoxybut-2-ene.
What is the SMILES notation for (E)-4-bromo-1,1-dimethoxybut-2-ene?
The canonical SMILES for (E)-4-bromo-1,1-dimethoxybut-2-ene is COC(/C=C/CBr)OC.
What is the InChIKey of (E)-4-bromo-1,1-dimethoxybut-2-ene?
The InChIKey is MOZFVZIBEWQCQW-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H11BrO2/c1-8-6(9-2)4-3-5-7/h3-4,6H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-4-bromo-1,1-dimethoxybut-2-ene?
(E)-4-bromo-1,1-dimethoxybut-2-ene has a molecular weight of 195.06 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-bromo-1,1-dimethoxybut-2-ene is sourced from PubChem (CID 11241001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).