4-bromo-3-methoxypent-2-ene

C6H11BrO — CID 88785690

IUPAC4-bromo-3-methoxypent-2-ene
SMILESCC=C(OC)C(C)Br
InChIInChI=1S/C6H11BrO/c1-4-6(8-3)5(2)7/h4-5H,1-3H3
InChIKeyDCJZGKNUJSHZCM-UHFFFAOYSA-N
MW179.06 g/mol
LogP2.32
Rot. Bonds2

About 4-bromo-3-methoxypent-2-ene

4-bromo-3-methoxypent-2-ene (PubChem CID 88785690) has the molecular formula C6H11BrO and a molecular weight of 179.06 g/mol. Its IUPAC name is 4-bromo-3-methoxypent-2-ene.

Molecular Properties

Compound Name4-bromo-3-methoxypent-2-ene
PubChem CID88785690
Molecular FormulaC6H11BrO
Molecular Weight179.06 g/mol
Exact Mass178.00
IUPAC Name4-bromo-3-methoxypent-2-ene
SMILESCC=C(OC)C(C)Br
InChIInChI=1S/C6H11BrO/c1-4-6(8-3)5(2)7/h4-5H,1-3H3
InChIKeyDCJZGKNUJSHZCM-UHFFFAOYSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.06
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-4-bromo-3-methoxypent-2-enoate
CID 59977658
methyl (Z)-4-bromo-3-methoxypent-2-enoate
CID 23514441
6-methoxy-2,5-dimethylocta-1,6-diene
CID 123277577
2-bromopropanoic acid;methoxymethane
CID 159963674
(E)-3-methoxy-4-methylpent-2-enoic acid
CID 84762834
methyl (Z)-2,3-dimethylpent-3-enoate
CID 134940363
methyl 4-bromopent-2-enoate
CID 54128087
(3Z,5R)-4-methoxy-2,5,6-trimethylhepta-1,3-diene
CID 142883560
(Z)-4-chloro-3-methoxypent-2-enoic acid
CID 87194712
bromo(methoxy)methanol
CID 54225350
methyl (2S)-2-(2-bromopropanoyloxy)-3-methylbutanoate
CID 100971142
dimethyl (2R,3R)-2-bromo-3-hydroxybutanedioate
CID 45116933

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxypent-2-ene?
The IUPAC name of 4-bromo-3-methoxypent-2-ene (CID 88785690) is 4-bromo-3-methoxypent-2-ene.
What is the SMILES notation for 4-bromo-3-methoxypent-2-ene?
The canonical SMILES for 4-bromo-3-methoxypent-2-ene is CC=C(OC)C(C)Br.
What is the InChIKey of 4-bromo-3-methoxypent-2-ene?
The InChIKey is DCJZGKNUJSHZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrO/c1-4-6(8-3)5(2)7/h4-5H,1-3H3.
What are the key properties of 4-bromo-3-methoxypent-2-ene?
4-bromo-3-methoxypent-2-ene has a molecular weight of 179.06 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxypent-2-ene is sourced from PubChem (CID 88785690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).