1-bromo-1-(1-bromopropoxy)propane;dichloromethane

C7H14Br2Cl2O — CID 174789357

IUPAC1-bromo-1-(1-bromopropoxy)propane;dichloromethane
SMILESCCC(Br)OC(Br)CC.ClCCl
InChIInChI=1S/C6H12Br2O.CH2Cl2/c1-3-5(7)9-6(8)4-2;2-1-3/h5-6H,3-4H2,1-2H3;1H2
InChIKeySTKSZQCCUGGHEC-UHFFFAOYSA-N
MW344.90 g/mol
LogP4.69
Rot. Bonds4

About 1-bromo-1-(1-bromopropoxy)propane;dichloromethane

1-bromo-1-(1-bromopropoxy)propane;dichloromethane (PubChem CID 174789357) has the molecular formula C7H14Br2Cl2O and a molecular weight of 344.90 g/mol. Its IUPAC name is 1-bromo-1-(1-bromopropoxy)propane;dichloromethane.

Molecular Properties

Compound Name1-bromo-1-(1-bromopropoxy)propane;dichloromethane
PubChem CID174789357
Molecular FormulaC7H14Br2Cl2O
Molecular Weight344.90 g/mol
Exact Mass341.88
IUPAC Name1-bromo-1-(1-bromopropoxy)propane;dichloromethane
SMILESCCC(Br)OC(Br)CC.ClCCl
InChIInChI=1S/C6H12Br2O.CH2Cl2/c1-3-5(7)9-6(8)4-2;2-1-3/h5-6H,3-4H2,1-2H3;1H2
InChIKeySTKSZQCCUGGHEC-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.90
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-(1-bromopropoxy)propane;dichloromethane?
The IUPAC name of 1-bromo-1-(1-bromopropoxy)propane;dichloromethane (CID 174789357) is 1-bromo-1-(1-bromopropoxy)propane;dichloromethane.
What is the SMILES notation for 1-bromo-1-(1-bromopropoxy)propane;dichloromethane?
The canonical SMILES for 1-bromo-1-(1-bromopropoxy)propane;dichloromethane is CCC(Br)OC(Br)CC.ClCCl.
What is the InChIKey of 1-bromo-1-(1-bromopropoxy)propane;dichloromethane?
The InChIKey is STKSZQCCUGGHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Br2O.CH2Cl2/c1-3-5(7)9-6(8)4-2;2-1-3/h5-6H,3-4H2,1-2H3;1H2.
What are the key properties of 1-bromo-1-(1-bromopropoxy)propane;dichloromethane?
1-bromo-1-(1-bromopropoxy)propane;dichloromethane has a molecular weight of 344.90 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(1-bromopropoxy)propane;dichloromethane is sourced from PubChem (CID 174789357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).