bromomethane;methane;1-methoxy-2-methylpropane;2-methylpropan-1-ol

C11H29BrO2 — CID 159979197

IUPACbromomethane;methane;1-methoxy-2-methylpropane;2-methylpropan-1-ol
SMILESC.CBr.CC(C)CO.COCC(C)C
InChIInChI=1S/C5H12O.C4H10O.CH3Br.CH4/c1-5(2)4-6-3;1-4(2)3-5;1-2;/h5H,4H2,1-3H3;4-5H,3H2,1-2H3;1H3;1H4
InChIKeyOFNSDVYYZINOPK-UHFFFAOYSA-N
MW273.25 g/mol
LogP3.57
Rot. Bonds3

About bromomethane;methane;1-methoxy-2-methylpropane;2-methylpropan-1-ol

bromomethane;methane;1-methoxy-2-methylpropane;2-methylpropan-1-ol (PubChem CID 159979197) has the molecular formula C11H29BrO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is bromomethane;methane;1-methoxy-2-methylpropane;2-methylpropan-1-ol.

Molecular Properties

Compound Namebromomethane;methane;1-methoxy-2-methylpropane;2-methylpropan-1-ol
PubChem CID159979197
Molecular FormulaC11H29BrO2
Molecular Weight273.25 g/mol
Exact Mass272.14
IUPAC Namebromomethane;methane;1-methoxy-2-methylpropane;2-methylpropan-1-ol
SMILESC.CBr.CC(C)CO.COCC(C)C
InChIInChI=1S/C5H12O.C4H10O.CH3Br.CH4/c1-5(2)4-6-3;1-4(2)3-5;1-2;/h5H,4H2,1-3H3;4-5H,3H2,1-2H3;1H3;1H4
InChIKeyOFNSDVYYZINOPK-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol
CID 157414663
2-methylpropan-1-ol;zinc
CID 151745482
CID 131872176
CID 131872176
azane;tris(2-methylpropan-1-ol)
CID 175819145
2-methylpropan-1-ol;zirconium(3+)
CID 150803706
lanthanum;tris(2-methylpropan-1-ol)
CID 140708551
tris(2-methylpropan-1-ol);titanium
CID 87503095
bis(2-methylpropoxy)lead;tetrakis(2-methylpropan-1-ol);titanium
CID 139953967
methane;methoxymethanol;3-methoxypropane-1,2-diol
CID 159796691
1,2-dimethoxyethane;propane-1,2-diol
CID 87359366
sodium;2-methylpropan-1-ol;chloride
CID 172733950
2-methylpropan-1-ol;zirconium;hydrochloride
CID 174563411

Frequently Asked Questions

What is the IUPAC name of bromomethane;methane;1-methoxy-2-methylpropane;2-methylpropan-1-ol?
The IUPAC name of bromomethane;methane;1-methoxy-2-methylpropane;2-methylpropan-1-ol (CID 159979197) is bromomethane;methane;1-methoxy-2-methylpropane;2-methylpropan-1-ol.
What is the SMILES notation for bromomethane;methane;1-methoxy-2-methylpropane;2-methylpropan-1-ol?
The canonical SMILES for bromomethane;methane;1-methoxy-2-methylpropane;2-methylpropan-1-ol is C.CBr.CC(C)CO.COCC(C)C.
What is the InChIKey of bromomethane;methane;1-methoxy-2-methylpropane;2-methylpropan-1-ol?
The InChIKey is OFNSDVYYZINOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C4H10O.CH3Br.CH4/c1-5(2)4-6-3;1-4(2)3-5;1-2;/h5H,4H2,1-3H3;4-5H,3H2,1-2H3;1H3;1H4.
What are the key properties of bromomethane;methane;1-methoxy-2-methylpropane;2-methylpropan-1-ol?
bromomethane;methane;1-methoxy-2-methylpropane;2-methylpropan-1-ol has a molecular weight of 273.25 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;methane;1-methoxy-2-methylpropane;2-methylpropan-1-ol is sourced from PubChem (CID 159979197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).