2-bromo-1,1-dimethoxybut-2-ene

C6H11BrO2 — CID 85445270

IUPAC2-bromo-1,1-dimethoxybut-2-ene
SMILESCC=C(Br)C(OC)OC
InChIInChI=1S/C6H11BrO2/c1-4-5(7)6(8-2)9-3/h4,6H,1-3H3
InChIKeyOKBDHVJBUCLGFQ-UHFFFAOYSA-N
MW195.06 g/mol
LogP1.90
Rot. Bonds3

About 2-bromo-1,1-dimethoxybut-2-ene

2-bromo-1,1-dimethoxybut-2-ene (PubChem CID 85445270) has the molecular formula C6H11BrO2 and a molecular weight of 195.06 g/mol. Its IUPAC name is 2-bromo-1,1-dimethoxybut-2-ene.

Molecular Properties

Compound Name2-bromo-1,1-dimethoxybut-2-ene
PubChem CID85445270
Molecular FormulaC6H11BrO2
Molecular Weight195.06 g/mol
Exact Mass193.99
IUPAC Name2-bromo-1,1-dimethoxybut-2-ene
SMILESCC=C(Br)C(OC)OC
InChIInChI=1S/C6H11BrO2/c1-4-5(7)6(8-2)9-3/h4,6H,1-3H3
InChIKeyOKBDHVJBUCLGFQ-UHFFFAOYSA-N
XLogP1.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Butene, 1,1-dimethoxy-
CID 5367935
2-Bromopropenal diethyl acetal
CID 11805934
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
(E)-4-bromo-1,1-dimethoxybut-2-ene
CID 11241001
(E)-1,1,4-trimethoxybut-2-ene
CID 10486990
2-Bromo-3,3-dimethoxyprop-1-ene
CID 14594989
1,1,4-Trimethoxy-2-butene
CID 85156998
(E)-2-bromo-1-(methoxymethoxy)but-2-ene
CID 139030403
(1Z,3E)-1-bromo-5,5-dimethoxypenta-1,3-diene
CID 10608390
(1E,3E)-1-bromo-5,5-dimethoxypenta-1,3-diene
CID 15325047

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1-dimethoxybut-2-ene?
The IUPAC name of 2-bromo-1,1-dimethoxybut-2-ene (CID 85445270) is 2-bromo-1,1-dimethoxybut-2-ene.
What is the SMILES notation for 2-bromo-1,1-dimethoxybut-2-ene?
The canonical SMILES for 2-bromo-1,1-dimethoxybut-2-ene is CC=C(Br)C(OC)OC.
What is the InChIKey of 2-bromo-1,1-dimethoxybut-2-ene?
The InChIKey is OKBDHVJBUCLGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrO2/c1-4-5(7)6(8-2)9-3/h4,6H,1-3H3.
What are the key properties of 2-bromo-1,1-dimethoxybut-2-ene?
2-bromo-1,1-dimethoxybut-2-ene has a molecular weight of 195.06 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1-dimethoxybut-2-ene is sourced from PubChem (CID 85445270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).