2-bromo-3,3-dimethoxyprop-1-ene

C5H9BrO2 — CID 14594989

IUPAC2-bromo-3,3-dimethoxyprop-1-ene
SMILESC=C(Br)C(OC)OC
InChIInChI=1S/C5H9BrO2/c1-4(6)5(7-2)8-3/h5H,1H2,2-3H3
InChIKeyLUNZNSAWZCPBIZ-UHFFFAOYSA-N
MW181.03 g/mol
LogP1.51
Rot. Bonds3

About 2-bromo-3,3-dimethoxyprop-1-ene

2-bromo-3,3-dimethoxyprop-1-ene (PubChem CID 14594989) has the molecular formula C5H9BrO2 and a molecular weight of 181.03 g/mol. Its IUPAC name is 2-bromo-3,3-dimethoxyprop-1-ene.

Molecular Properties

Compound Name2-bromo-3,3-dimethoxyprop-1-ene
PubChem CID14594989
Molecular FormulaC5H9BrO2
Molecular Weight181.03 g/mol
Exact Mass179.98
IUPAC Name2-bromo-3,3-dimethoxyprop-1-ene
SMILESC=C(Br)C(OC)OC
InChIInChI=1S/C5H9BrO2/c1-4(6)5(7-2)8-3/h5H,1H2,2-3H3
InChIKeyLUNZNSAWZCPBIZ-UHFFFAOYSA-N
XLogP1.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.03
LogP ≤ 51.51
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-Bromopropenal diethyl acetal
CID 11805934
1,3-Dibromo-4,4-dimethoxybuta-1,2-diene
CID 15399304
(E)-2-bromo-1-(methoxymethoxy)but-2-ene
CID 139030403
1-Bromo-3,3-dimethoxy-2-methylprop-1-ene
CID 12700312
(Z)-2-bromo-1,3,3-trimethoxyprop-1-ene
CID 19833792
2-Bromo-1,3,3-trimethoxyprop-1-ene
CID 54102579
1-Bromo-3,3-dimethoxyprop-1-ene
CID 57312113
CID 71401843
CID 71401843
1,2-Dibromo-3-(methoxymethoxy)prop-1-ene
CID 176042511
(Z)-2-bromo-1,1-dimethoxybut-2-ene
CID 12835679
2-Bromo-3-[(2-methoxyethoxy)methoxy]prop-1-ene
CID 74890641
2-Bromo-1,1-dimethoxybut-2-ene
CID 85445270

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,3-dimethoxyprop-1-ene?
The IUPAC name of 2-bromo-3,3-dimethoxyprop-1-ene (CID 14594989) is 2-bromo-3,3-dimethoxyprop-1-ene.
What is the SMILES notation for 2-bromo-3,3-dimethoxyprop-1-ene?
The canonical SMILES for 2-bromo-3,3-dimethoxyprop-1-ene is C=C(Br)C(OC)OC.
What is the InChIKey of 2-bromo-3,3-dimethoxyprop-1-ene?
The InChIKey is LUNZNSAWZCPBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrO2/c1-4(6)5(7-2)8-3/h5H,1H2,2-3H3.
What are the key properties of 2-bromo-3,3-dimethoxyprop-1-ene?
2-bromo-3,3-dimethoxyprop-1-ene has a molecular weight of 181.03 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,3-dimethoxyprop-1-ene is sourced from PubChem (CID 14594989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).