(Z)-1-bromo-4-(methoxymethoxy)but-2-ene

C6H11BrO2 — CID 15327012

IUPAC(Z)-1-bromo-4-(methoxymethoxy)but-2-ene
SMILESCOCOC/C=C\CBr
InChIInChI=1S/C6H11BrO2/c1-8-6-9-5-3-2-4-7/h2-3H,4-6H2,1H3/b3-2-
InChIKeyPNYFMTZUHIEXMT-IHWYPQMZSA-N
MW195.06 g/mol
LogP1.56
Rot. Bonds5

About (Z)-1-bromo-4-(methoxymethoxy)but-2-ene

(Z)-1-bromo-4-(methoxymethoxy)but-2-ene (PubChem CID 15327012) has the molecular formula C6H11BrO2 and a molecular weight of 195.06 g/mol. Its IUPAC name is (Z)-1-bromo-4-(methoxymethoxy)but-2-ene.

Molecular Properties

Compound Name(Z)-1-bromo-4-(methoxymethoxy)but-2-ene
PubChem CID15327012
Molecular FormulaC6H11BrO2
Molecular Weight195.06 g/mol
Exact Mass193.99
IUPAC Name(Z)-1-bromo-4-(methoxymethoxy)but-2-ene
SMILESCOCOC/C=C\CBr
InChIInChI=1S/C6H11BrO2/c1-8-6-9-5-3-2-4-7/h2-3H,4-6H2,1H3/b3-2-
InChIKeyPNYFMTZUHIEXMT-IHWYPQMZSA-N
XLogP1.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

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)-1-bromo-3,3-diethoxyprop-1-ene
CID 13513773
(E)-2-bromo-1-(methoxymethoxy)but-2-ene
CID 139030403
3-[(1R)-2-bromo-1-ethoxyethoxy]prop-1-ene
CID 139266085
3-Bromopropenylmethylcarbonate
CID 176514607
(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
[(Z)-4-bromobut-2-enyl] methyl carbonate
CID 14924690
(1E,3E)-1-bromo-5,5-dimethoxypenta-1,3-diene
CID 15325047

Frequently Asked Questions

What is the IUPAC name of (Z)-1-bromo-4-(methoxymethoxy)but-2-ene?
The IUPAC name of (Z)-1-bromo-4-(methoxymethoxy)but-2-ene (CID 15327012) is (Z)-1-bromo-4-(methoxymethoxy)but-2-ene.
What is the SMILES notation for (Z)-1-bromo-4-(methoxymethoxy)but-2-ene?
The canonical SMILES for (Z)-1-bromo-4-(methoxymethoxy)but-2-ene is COCOC/C=C\CBr.
What is the InChIKey of (Z)-1-bromo-4-(methoxymethoxy)but-2-ene?
The InChIKey is PNYFMTZUHIEXMT-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H11BrO2/c1-8-6-9-5-3-2-4-7/h2-3H,4-6H2,1H3/b3-2-.
What are the key properties of (Z)-1-bromo-4-(methoxymethoxy)but-2-ene?
(Z)-1-bromo-4-(methoxymethoxy)but-2-ene has a molecular weight of 195.06 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-bromo-4-(methoxymethoxy)but-2-ene is sourced from PubChem (CID 15327012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).