1-bromo-2-(bromomethyl)-5-methoxy-2,5-dimethylhexane

C10H20Br2O — CID 103019029

IUPAC1-bromo-2-(bromomethyl)-5-methoxy-2,5-dimethylhexane
SMILESCOC(C)(C)CCC(C)(CBr)CBr
InChIInChI=1S/C10H20Br2O/c1-9(2,13-4)5-6-10(3,7-11)8-12/h5-8H2,1-4H3
InChIKeyMAEKKBJCTIERJD-UHFFFAOYSA-N
MW316.08 g/mol
LogP3.99
Rot. Bonds6

About 1-bromo-2-(bromomethyl)-5-methoxy-2,5-dimethylhexane

1-bromo-2-(bromomethyl)-5-methoxy-2,5-dimethylhexane (PubChem CID 103019029) has the molecular formula C10H20Br2O and a molecular weight of 316.08 g/mol. Its IUPAC name is 1-bromo-2-(bromomethyl)-5-methoxy-2,5-dimethylhexane.

Molecular Properties

Compound Name1-bromo-2-(bromomethyl)-5-methoxy-2,5-dimethylhexane
PubChem CID103019029
Molecular FormulaC10H20Br2O
Molecular Weight316.08 g/mol
Exact Mass313.99
IUPAC Name1-bromo-2-(bromomethyl)-5-methoxy-2,5-dimethylhexane
SMILESCOC(C)(C)CCC(C)(CBr)CBr
InChIInChI=1S/C10H20Br2O/c1-9(2,13-4)5-6-10(3,7-11)8-12/h5-8H2,1-4H3
InChIKeyMAEKKBJCTIERJD-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.08
LogP ≤ 53.99
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

2,5-dimethoxy-2,5-dimethylhexane
CID 552009
2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine
CID 103017418
5-methoxy-2,5-dimethylhexan-2-ol
CID 21053495
1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane
CID 79453199
N'-(2-aminoethyl)-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine
CID 103034073
5-methoxy-2,2,5-trimethylhexanenitrile
CID 103017221
1-iodo-3-methoxy-3-methylbutane
CID 22236489
3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643
copper;3-methoxy-3-methylbutan-1-ol
CID 87410693
5-(bromomethyl)-2-methoxy-2-methylheptane
CID 103018464
1,4-bis(methoxymethyl)benzene;2,5-dimethoxy-2,5-dimethylhexane
CID 159228016
6-bromo-2-methoxy-2,5-dimethylheptane
CID 103036506

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(bromomethyl)-5-methoxy-2,5-dimethylhexane?
The IUPAC name of 1-bromo-2-(bromomethyl)-5-methoxy-2,5-dimethylhexane (CID 103019029) is 1-bromo-2-(bromomethyl)-5-methoxy-2,5-dimethylhexane.
What is the SMILES notation for 1-bromo-2-(bromomethyl)-5-methoxy-2,5-dimethylhexane?
The canonical SMILES for 1-bromo-2-(bromomethyl)-5-methoxy-2,5-dimethylhexane is COC(C)(C)CCC(C)(CBr)CBr.
What is the InChIKey of 1-bromo-2-(bromomethyl)-5-methoxy-2,5-dimethylhexane?
The InChIKey is MAEKKBJCTIERJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Br2O/c1-9(2,13-4)5-6-10(3,7-11)8-12/h5-8H2,1-4H3.
What are the key properties of 1-bromo-2-(bromomethyl)-5-methoxy-2,5-dimethylhexane?
1-bromo-2-(bromomethyl)-5-methoxy-2,5-dimethylhexane has a molecular weight of 316.08 g/mol, XLogP of 3.99, 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-2,5-dimethylhexane is sourced from PubChem (CID 103019029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).