1-bromo-2-(methoxymethyl)-4-methylpentane

C8H17BrO — CID 103985154

IUPAC1-bromo-2-(methoxymethyl)-4-methylpentane
SMILESCOCC(CBr)CC(C)C
InChIInChI=1S/C8H17BrO/c1-7(2)4-8(5-9)6-10-3/h7-8H,4-6H2,1-3H3
InChIKeyREOKDXSBIDUSHC-UHFFFAOYSA-N
MW209.13 g/mol
LogP2.69
Rot. Bonds5

About 1-bromo-2-(methoxymethyl)-4-methylpentane

1-bromo-2-(methoxymethyl)-4-methylpentane (PubChem CID 103985154) has the molecular formula C8H17BrO and a molecular weight of 209.13 g/mol. Its IUPAC name is 1-bromo-2-(methoxymethyl)-4-methylpentane.

Molecular Properties

Compound Name1-bromo-2-(methoxymethyl)-4-methylpentane
PubChem CID103985154
Molecular FormulaC8H17BrO
Molecular Weight209.13 g/mol
Exact Mass208.05
IUPAC Name1-bromo-2-(methoxymethyl)-4-methylpentane
SMILESCOCC(CBr)CC(C)C
InChIInChI=1S/C8H17BrO/c1-7(2)4-8(5-9)6-10-3/h7-8H,4-6H2,1-3H3
InChIKeyREOKDXSBIDUSHC-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane
CID 170161342
ethane;2-fluoro-1-methoxy-4-methylpentane
CID 170593191
3-(bromomethyl)-1-(3-methoxypropoxy)-5-methylhexane
CID 103185020
4-(bromomethyl)-1,2-dimethoxyhexane
CID 165442725
4-(bromomethyl)-2,2,6-trimethylheptane
CID 165446166
(3S)-3-(methoxymethyl)-2,5-dimethylhexane
CID 121338192
4-(bromomethyl)-6-methylheptan-2-one
CID 59098286
1-methoxy-2,4-bis(methoxymethyl)-5-propan-2-yloxypentane
CID 134479916
4-(bromomethyl)-2-methylundecane
CID 66049402
2-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine
CID 64997501
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
1-methoxy-2-(methoxymethyl)butane
CID 23295181

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(methoxymethyl)-4-methylpentane?
The IUPAC name of 1-bromo-2-(methoxymethyl)-4-methylpentane (CID 103985154) is 1-bromo-2-(methoxymethyl)-4-methylpentane.
What is the SMILES notation for 1-bromo-2-(methoxymethyl)-4-methylpentane?
The canonical SMILES for 1-bromo-2-(methoxymethyl)-4-methylpentane is COCC(CBr)CC(C)C.
What is the InChIKey of 1-bromo-2-(methoxymethyl)-4-methylpentane?
The InChIKey is REOKDXSBIDUSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BrO/c1-7(2)4-8(5-9)6-10-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-bromo-2-(methoxymethyl)-4-methylpentane?
1-bromo-2-(methoxymethyl)-4-methylpentane has a molecular weight of 209.13 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(methoxymethyl)-4-methylpentane is sourced from PubChem (CID 103985154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).