1-bromo-2-(methoxymethyl)-3-methylbutane

C7H15BrO — CID 65011992

IUPAC1-bromo-2-(methoxymethyl)-3-methylbutane
SMILESCOCC(CBr)C(C)C
InChIInChI=1S/C7H15BrO/c1-6(2)7(4-8)5-9-3/h6-7H,4-5H2,1-3H3
InChIKeyGBMYPKZMPHUSNG-UHFFFAOYSA-N
MW195.10 g/mol
LogP2.30
Rot. Bonds4

About 1-bromo-2-(methoxymethyl)-3-methylbutane

1-bromo-2-(methoxymethyl)-3-methylbutane (PubChem CID 65011992) has the molecular formula C7H15BrO and a molecular weight of 195.10 g/mol. Its IUPAC name is 1-bromo-2-(methoxymethyl)-3-methylbutane.

Molecular Properties

Compound Name1-bromo-2-(methoxymethyl)-3-methylbutane
PubChem CID65011992
Molecular FormulaC7H15BrO
Molecular Weight195.10 g/mol
Exact Mass194.03
IUPAC Name1-bromo-2-(methoxymethyl)-3-methylbutane
SMILESCOCC(CBr)C(C)C
InChIInChI=1S/C7H15BrO/c1-6(2)7(4-8)5-9-3/h6-7H,4-5H2,1-3H3
InChIKeyGBMYPKZMPHUSNG-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 52.30
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-2-(methoxymethyl)-3-methylbutane?
The IUPAC name of 1-bromo-2-(methoxymethyl)-3-methylbutane (CID 65011992) is 1-bromo-2-(methoxymethyl)-3-methylbutane.
What is the SMILES notation for 1-bromo-2-(methoxymethyl)-3-methylbutane?
The canonical SMILES for 1-bromo-2-(methoxymethyl)-3-methylbutane is COCC(CBr)C(C)C.
What is the InChIKey of 1-bromo-2-(methoxymethyl)-3-methylbutane?
The InChIKey is GBMYPKZMPHUSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrO/c1-6(2)7(4-8)5-9-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-bromo-2-(methoxymethyl)-3-methylbutane?
1-bromo-2-(methoxymethyl)-3-methylbutane has a molecular weight of 195.10 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(methoxymethyl)-3-methylbutane is sourced from PubChem (CID 65011992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).