1-bromo-2-(bromomethyl)-5-methoxy-2-methylpentane

C8H16Br2O — CID 79453623

IUPAC1-bromo-2-(bromomethyl)-5-methoxy-2-methylpentane
SMILESCOCCCC(C)(CBr)CBr
InChIInChI=1S/C8H16Br2O/c1-8(6-9,7-10)4-3-5-11-2/h3-7H2,1-2H3
InChIKeyWXOHQISOYXRHMO-UHFFFAOYSA-N
MW288.02 g/mol
LogP3.21
Rot. Bonds6

About 1-bromo-2-(bromomethyl)-5-methoxy-2-methylpentane

1-bromo-2-(bromomethyl)-5-methoxy-2-methylpentane (PubChem CID 79453623) has the molecular formula C8H16Br2O and a molecular weight of 288.02 g/mol. Its IUPAC name is 1-bromo-2-(bromomethyl)-5-methoxy-2-methylpentane.

Molecular Properties

Compound Name1-bromo-2-(bromomethyl)-5-methoxy-2-methylpentane
PubChem CID79453623
Molecular FormulaC8H16Br2O
Molecular Weight288.02 g/mol
Exact Mass285.96
IUPAC Name1-bromo-2-(bromomethyl)-5-methoxy-2-methylpentane
SMILESCOCCCC(C)(CBr)CBr
InChIInChI=1S/C8H16Br2O/c1-8(6-9,7-10)4-3-5-11-2/h3-7H2,1-2H3
InChIKeyWXOHQISOYXRHMO-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.02
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane
CID 79453199
4,4-bis(bromomethyl)-1-methoxy-5-methylhexane
CID 79455465
3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane
CID 66050495
1-bromo-2-(bromomethyl)-5-methoxy-2,5-dimethylhexane
CID 103019029
3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-3-methylhexane
CID 104568722
ethane;1-methoxy-3,3-dimethylbutane
CID 143141249
6-methoxy-3-methylhexan-3-ol
CID 114851780
6-methoxy-2-methyl-2-propylhexan-1-amine
CID 104649289
1-bromo-4-[1-bromo-2-(bromomethyl)-5-methoxypentan-2-yl]benzene
CID 79455927
6-methoxy-2-methylhexan-2-amine
CID 94975413
N-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine
CID 62717827
methyl 5-methoxy-2,2-dimethylpentanoate
CID 89066099

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(bromomethyl)-5-methoxy-2-methylpentane?
The IUPAC name of 1-bromo-2-(bromomethyl)-5-methoxy-2-methylpentane (CID 79453623) is 1-bromo-2-(bromomethyl)-5-methoxy-2-methylpentane.
What is the SMILES notation for 1-bromo-2-(bromomethyl)-5-methoxy-2-methylpentane?
The canonical SMILES for 1-bromo-2-(bromomethyl)-5-methoxy-2-methylpentane is COCCCC(C)(CBr)CBr.
What is the InChIKey of 1-bromo-2-(bromomethyl)-5-methoxy-2-methylpentane?
The InChIKey is WXOHQISOYXRHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Br2O/c1-8(6-9,7-10)4-3-5-11-2/h3-7H2,1-2H3.
What are the key properties of 1-bromo-2-(bromomethyl)-5-methoxy-2-methylpentane?
1-bromo-2-(bromomethyl)-5-methoxy-2-methylpentane has a molecular weight of 288.02 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(bromomethyl)-5-methoxy-2-methylpentane is sourced from PubChem (CID 79453623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).