1-bromo-2-methyl-2-(propan-2-yloxymethyl)butane

C9H19BrO — CID 165445799

IUPAC1-bromo-2-methyl-2-(propan-2-yloxymethyl)butane
SMILESCCC(C)(CBr)COC(C)C
InChIInChI=1S/C9H19BrO/c1-5-9(4,6-10)7-11-8(2)3/h8H,5-7H2,1-4H3
InChIKeyDDXZCHBQVFFLDT-UHFFFAOYSA-N
MW223.15 g/mol
LogP3.22
Rot. Bonds5

About 1-bromo-2-methyl-2-(propan-2-yloxymethyl)butane

1-bromo-2-methyl-2-(propan-2-yloxymethyl)butane (PubChem CID 165445799) has the molecular formula C9H19BrO and a molecular weight of 223.15 g/mol. Its IUPAC name is 1-bromo-2-methyl-2-(propan-2-yloxymethyl)butane.

Molecular Properties

Compound Name1-bromo-2-methyl-2-(propan-2-yloxymethyl)butane
PubChem CID165445799
Molecular FormulaC9H19BrO
Molecular Weight223.15 g/mol
Exact Mass222.06
IUPAC Name1-bromo-2-methyl-2-(propan-2-yloxymethyl)butane
SMILESCCC(C)(CBr)COC(C)C
InChIInChI=1S/C9H19BrO/c1-5-9(4,6-10)7-11-8(2)3/h8H,5-7H2,1-4H3
InChIKeyDDXZCHBQVFFLDT-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-methyl-2-(2-methylpropoxymethyl)butane
CID 165447149
2-methyl-1-propan-2-yloxypropan-2-ol
CID 547751
3-(bromomethyl)-1,1-difluoro-3-methylpentane
CID 165443659
ethane;3-ethyl-3-methylpentane
CID 158904304
2-amino-1-propan-2-yloxypropan-2-ol
CID 57307102
1-bromo-2-(bromomethyl)-2,4-dimethylhexane
CID 79453025
4-(bromomethyl)-2,3,4-trimethylhexane
CID 131230810
2-(methoxymethyl)-2-methyl-N-propan-2-yl-3-propan-2-yloxypropan-1-amine
CID 135280779
2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane
CID 160593936
4-[(2-ethyl-2,4-dimethylpentoxy)methyl]-2,4-dimethylhexane
CID 88745272
3-amino-2-methyl-1-propan-2-yloxybutan-2-ol
CID 130574290
4-(bromomethyl)-4-(2-propan-2-yloxyethoxymethyl)heptane
CID 65006184

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methyl-2-(propan-2-yloxymethyl)butane?
The IUPAC name of 1-bromo-2-methyl-2-(propan-2-yloxymethyl)butane (CID 165445799) is 1-bromo-2-methyl-2-(propan-2-yloxymethyl)butane.
What is the SMILES notation for 1-bromo-2-methyl-2-(propan-2-yloxymethyl)butane?
The canonical SMILES for 1-bromo-2-methyl-2-(propan-2-yloxymethyl)butane is CCC(C)(CBr)COC(C)C.
What is the InChIKey of 1-bromo-2-methyl-2-(propan-2-yloxymethyl)butane?
The InChIKey is DDXZCHBQVFFLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrO/c1-5-9(4,6-10)7-11-8(2)3/h8H,5-7H2,1-4H3.
What are the key properties of 1-bromo-2-methyl-2-(propan-2-yloxymethyl)butane?
1-bromo-2-methyl-2-(propan-2-yloxymethyl)butane has a molecular weight of 223.15 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methyl-2-(propan-2-yloxymethyl)butane is sourced from PubChem (CID 165445799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).