(E)-2-bromo-1-(methoxymethoxy)but-2-ene

C6H11BrO2 — CID 139030403

IUPAC(E)-2-bromo-1-(methoxymethoxy)but-2-ene
SMILESC/C=C(/Br)COCOC
InChIInChI=1S/C6H11BrO2/c1-3-6(7)4-9-5-8-2/h3H,4-5H2,1-2H3/b6-3+
InChIKeyPKEUNTGSRHSIOA-ZZXKWVIFSA-N
MW195.06 g/mol
LogP1.91
Rot. Bonds4

About (E)-2-bromo-1-(methoxymethoxy)but-2-ene

(E)-2-bromo-1-(methoxymethoxy)but-2-ene (PubChem CID 139030403) has the molecular formula C6H11BrO2 and a molecular weight of 195.06 g/mol. Its IUPAC name is (E)-2-bromo-1-(methoxymethoxy)but-2-ene.

Molecular Properties

Compound Name(E)-2-bromo-1-(methoxymethoxy)but-2-ene
PubChem CID139030403
Molecular FormulaC6H11BrO2
Molecular Weight195.06 g/mol
Exact Mass193.99
IUPAC Name(E)-2-bromo-1-(methoxymethoxy)but-2-ene
SMILESC/C=C(/Br)COCOC
InChIInChI=1S/C6H11BrO2/c1-3-6(7)4-9-5-8-2/h3H,4-5H2,1-2H3/b6-3+
InChIKeyPKEUNTGSRHSIOA-ZZXKWVIFSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Bromopropenal diethyl acetal
CID 11805934
1,1-Bis(allyloxy)-2-bromo-2-butene
CID 5469951
3-Bromo-2,5-dimethoxy-2,5-dihydrofuran
CID 11160099
(E)-4-bromo-1,1-dimethoxybut-2-ene
CID 11241001
Lithium 1-(methoxymethoxy)but-2-ene
CID 10329289
2-Bromo-3,3-dimethoxyprop-1-ene
CID 14594989
(E)-2-bromo-1-(methoxymethoxy)hex-2-ene
CID 139030409
1-(Methoxymethoxy)but-2-ene
CID 10329290
(E)-1-bromo-4-(methoxymethoxy)but-2-ene
CID 12136847
5-Bromo-2-propan-2-yl-4,7-dihydro-1,3-dioxepine
CID 13257365
(E)-4-bromo-1,1-diethoxybut-2-ene
CID 14179247
2-(1-Bromoethyl)-2-methoxy-4,7-dihydro-1,3-dioxepine
CID 20271476

Frequently Asked Questions

What is the IUPAC name of (E)-2-bromo-1-(methoxymethoxy)but-2-ene?
The IUPAC name of (E)-2-bromo-1-(methoxymethoxy)but-2-ene (CID 139030403) is (E)-2-bromo-1-(methoxymethoxy)but-2-ene.
What is the SMILES notation for (E)-2-bromo-1-(methoxymethoxy)but-2-ene?
The canonical SMILES for (E)-2-bromo-1-(methoxymethoxy)but-2-ene is C/C=C(/Br)COCOC.
What is the InChIKey of (E)-2-bromo-1-(methoxymethoxy)but-2-ene?
The InChIKey is PKEUNTGSRHSIOA-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H11BrO2/c1-3-6(7)4-9-5-8-2/h3H,4-5H2,1-2H3/b6-3+.
What are the key properties of (E)-2-bromo-1-(methoxymethoxy)but-2-ene?
(E)-2-bromo-1-(methoxymethoxy)but-2-ene has a molecular weight of 195.06 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromo-1-(methoxymethoxy)but-2-ene is sourced from PubChem (CID 139030403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).