(Z)-2-bromo-1,1-diethoxybut-2-ene

C8H15BrO2 — CID 15659911

IUPAC(Z)-2-bromo-1,1-diethoxybut-2-ene
SMILESC/C=C(\Br)C(OCC)OCC
InChIInChI=1S/C8H15BrO2/c1-4-7(9)8(10-5-2)11-6-3/h4,8H,5-6H2,1-3H3/b7-4-
InChIKeyQFZSCQMDGZILRH-DAXSKMNVSA-N
MW223.11 g/mol
LogP2.68
Rot. Bonds5

About (Z)-2-bromo-1,1-diethoxybut-2-ene

(Z)-2-bromo-1,1-diethoxybut-2-ene (PubChem CID 15659911) has the molecular formula C8H15BrO2 and a molecular weight of 223.11 g/mol. Its IUPAC name is (Z)-2-bromo-1,1-diethoxybut-2-ene.

Molecular Properties

Compound Name(Z)-2-bromo-1,1-diethoxybut-2-ene
PubChem CID15659911
Molecular FormulaC8H15BrO2
Molecular Weight223.11 g/mol
Exact Mass222.03
IUPAC Name(Z)-2-bromo-1,1-diethoxybut-2-ene
SMILESC/C=C(\Br)C(OCC)OCC
InChIInChI=1S/C8H15BrO2/c1-4-7(9)8(10-5-2)11-6-3/h4,8H,5-6H2,1-3H3/b7-4-
InChIKeyQFZSCQMDGZILRH-DAXSKMNVSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 52.68
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

trans-2-Butenal diethyl acetal
CID 6278424
1,1-Diethoxy-2-butene
CID 99778
2-Bromopropenal diethyl acetal
CID 11805934
Propionaldehyde dicrotyl acetal
CID 6437580
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)-4-bromo-1,1-dimethoxybut-2-ene
CID 11241001
(E)-4-bromo-1,1-diethoxy-2-methyl-2-butene
CID 13046223
2,5-Diethoxy-2,5-dihydrofuran
CID 15787793
1-(2-Bromo-1-butoxyethoxy)-3-methylbut-2-ene
CID 10967408
4-(2,2-Dibromo-1-ethoxypropoxy)buta-1,2-diene
CID 11120583

Frequently Asked Questions

What is the IUPAC name of (Z)-2-bromo-1,1-diethoxybut-2-ene?
The IUPAC name of (Z)-2-bromo-1,1-diethoxybut-2-ene (CID 15659911) is (Z)-2-bromo-1,1-diethoxybut-2-ene.
What is the SMILES notation for (Z)-2-bromo-1,1-diethoxybut-2-ene?
The canonical SMILES for (Z)-2-bromo-1,1-diethoxybut-2-ene is C/C=C(\Br)C(OCC)OCC.
What is the InChIKey of (Z)-2-bromo-1,1-diethoxybut-2-ene?
The InChIKey is QFZSCQMDGZILRH-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H15BrO2/c1-4-7(9)8(10-5-2)11-6-3/h4,8H,5-6H2,1-3H3/b7-4-.
What are the key properties of (Z)-2-bromo-1,1-diethoxybut-2-ene?
(Z)-2-bromo-1,1-diethoxybut-2-ene has a molecular weight of 223.11 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromo-1,1-diethoxybut-2-ene is sourced from PubChem (CID 15659911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).