[(Z)-4-bromobut-2-enyl] methyl carbonate

C6H9BrO3 — CID 14924690

IUPAC[(Z)-4-bromobut-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C\CBr
InChIInChI=1S/C6H9BrO3/c1-9-6(8)10-5-3-2-4-7/h2-3H,4-5H2,1H3/b3-2-
InChIKeyLIDAAWMHMMEWHV-IHWYPQMZSA-N
MW209.04 g/mol
LogP1.72
Rot. Bonds3

About [(Z)-4-bromobut-2-enyl] methyl carbonate

[(Z)-4-bromobut-2-enyl] methyl carbonate (PubChem CID 14924690) has the molecular formula C6H9BrO3 and a molecular weight of 209.04 g/mol. Its IUPAC name is [(Z)-4-bromobut-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(Z)-4-bromobut-2-enyl] methyl carbonate
PubChem CID14924690
Molecular FormulaC6H9BrO3
Molecular Weight209.04 g/mol
Exact Mass207.97
IUPAC Name[(Z)-4-bromobut-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C\CBr
InChIInChI=1S/C6H9BrO3/c1-9-6(8)10-5-3-2-4-7/h2-3H,4-5H2,1H3/b3-2-
InChIKeyLIDAAWMHMMEWHV-IHWYPQMZSA-N
XLogP1.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.04
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-But-2-enyl ethyl carbonate
CID 10866458
(e)-Crotyl methyl carbonate
CID 10877149
(E)-4-bromo-1,1-dimethoxybut-2-ene
CID 11241001
[(E)-4-bromobut-2-enyl] acetate
CID 13778921
But-2-enyl methyl carbonate
CID 54109296
1-Acetoxy-4-bromobut-2-ene
CID 54196002
(z)-4-Bromobut-2-en-1-yl acetate
CID 10856332
(z)-Crotyl methyl carbonate
CID 101449659
3-Bromopropenylmethylcarbonate
CID 176514607
(E)-But-2-en-1-yl propyl carbonate
CID 91692424
(E)-1-bromo-4-(methoxymethoxy)but-2-ene
CID 12136847
(E)-4-bromo-1,1-diethoxybut-2-ene
CID 14179247

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-bromobut-2-enyl] methyl carbonate?
The IUPAC name of [(Z)-4-bromobut-2-enyl] methyl carbonate (CID 14924690) is [(Z)-4-bromobut-2-enyl] methyl carbonate.
What is the SMILES notation for [(Z)-4-bromobut-2-enyl] methyl carbonate?
The canonical SMILES for [(Z)-4-bromobut-2-enyl] methyl carbonate is COC(=O)OC/C=C\CBr.
What is the InChIKey of [(Z)-4-bromobut-2-enyl] methyl carbonate?
The InChIKey is LIDAAWMHMMEWHV-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H9BrO3/c1-9-6(8)10-5-3-2-4-7/h2-3H,4-5H2,1H3/b3-2-.
What are the key properties of [(Z)-4-bromobut-2-enyl] methyl carbonate?
[(Z)-4-bromobut-2-enyl] methyl carbonate has a molecular weight of 209.04 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-bromobut-2-enyl] methyl carbonate is sourced from PubChem (CID 14924690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).