1-bromo-3-(methoxymethoxy)propane

C5H11BrO2 — CID 12709288

IUPAC1-bromo-3-(methoxymethoxy)propane
SMILESCOCOCCCBr
InChIInChI=1S/C5H11BrO2/c1-7-5-8-4-2-3-6/h2-5H2,1H3
InChIKeyYFMJJDYEFDVLPE-UHFFFAOYSA-N
MW183.04 g/mol
LogP1.39
Rot. Bonds5

About 1-bromo-3-(methoxymethoxy)propane

1-bromo-3-(methoxymethoxy)propane (PubChem CID 12709288) has the molecular formula C5H11BrO2 and a molecular weight of 183.04 g/mol. Its IUPAC name is 1-bromo-3-(methoxymethoxy)propane.

Molecular Properties

Compound Name1-bromo-3-(methoxymethoxy)propane
PubChem CID12709288
Molecular FormulaC5H11BrO2
Molecular Weight183.04 g/mol
Exact Mass181.99
IUPAC Name1-bromo-3-(methoxymethoxy)propane
SMILESCOCOCCCBr
InChIInChI=1S/C5H11BrO2/c1-7-5-8-4-2-3-6/h2-5H2,1H3
InChIKeyYFMJJDYEFDVLPE-UHFFFAOYSA-N
XLogP1.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.04
LogP ≤ 51.39
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'}

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Related Compounds

Ethane, 2-bromo-1,1-diethoxy-
CID 74852
2-Bromo-1,1-dimethoxyethane
CID 81672
1-Bromo-2,2-dimethoxypropane
CID 67175
3-Bromopropionaldehyde dimethylacetal
CID 118932
2-Bromo-1,1-diethoxypropane
CID 103001
Trimethyl 4-bromoorthobutyrate
CID 5187924
Propane, 1-bromo-3-(1-ethoxyethoxy)-
CID 118164
2,3-Dibromopropionaldehyde diethyl acetal
CID 4263567
2-Bromo-1,1-dimethoxybutane
CID 11106292
2-Bromo-1,1-dimethoxypropane
CID 12293010
4-Bromo-1,1-dimethoxybutane
CID 10420225
3-Bromopropyl methyl carbonate
CID 13935286

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(methoxymethoxy)propane?
The IUPAC name of 1-bromo-3-(methoxymethoxy)propane (CID 12709288) is 1-bromo-3-(methoxymethoxy)propane.
What is the SMILES notation for 1-bromo-3-(methoxymethoxy)propane?
The canonical SMILES for 1-bromo-3-(methoxymethoxy)propane is COCOCCCBr.
What is the InChIKey of 1-bromo-3-(methoxymethoxy)propane?
The InChIKey is YFMJJDYEFDVLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BrO2/c1-7-5-8-4-2-3-6/h2-5H2,1H3.
What are the key properties of 1-bromo-3-(methoxymethoxy)propane?
1-bromo-3-(methoxymethoxy)propane has a molecular weight of 183.04 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(methoxymethoxy)propane is sourced from PubChem (CID 12709288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).