1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylpentane

C10H21BrO — CID 89355930

IUPAC1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylpentane
SMILESCCC(C)CCOC(C)(C)CBr
InChIInChI=1S/C10H21BrO/c1-5-9(2)6-7-12-10(3,4)8-11/h9H,5-8H2,1-4H3
InChIKeyRQKNRIYYJTYKLX-UHFFFAOYSA-N
MW237.18 g/mol
LogP3.61
Rot. Bonds6

About 1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylpentane

1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylpentane (PubChem CID 89355930) has the molecular formula C10H21BrO and a molecular weight of 237.18 g/mol. Its IUPAC name is 1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylpentane.

Molecular Properties

Compound Name1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylpentane
PubChem CID89355930
Molecular FormulaC10H21BrO
Molecular Weight237.18 g/mol
Exact Mass236.08
IUPAC Name1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylpentane
SMILESCCC(C)CCOC(C)(C)CBr
InChIInChI=1S/C10H21BrO/c1-5-9(2)6-7-12-10(3,4)8-11/h9H,5-8H2,1-4H3
InChIKeyRQKNRIYYJTYKLX-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 53.61
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

3-methyl-3-(3-methylpentoxy)butan-1-amine
CID 89007846
1-methoxy-3-methyl-3-(3-methylpentoxy)pentane
CID 89083438
5-methyl-1-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyheptane
CID 90783293
3-methyl-1-propoxypentane
CID 123388243
3-(2-bromoethoxy)-1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylbutane
CID 138501579
4-methyl-4-(3-methylpentoxy)hex-1-en-3-one
CID 167136100
dimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium
CID 177060891
1-bromo-2-(bromomethyl)-2,4-dimethylhexane
CID 79453025
3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane
CID 172857942
3,7,7,8,8-pentamethyl-1-(2-methylbutan-2-yloxy)decane
CID 139480158
3-(bromomethyl)-1-[(2-methylpropan-2-yl)oxy]pentane
CID 112592442
2,5-dimethylheptan-2-yl carbamate
CID 123535810

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylpentane?
The IUPAC name of 1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylpentane (CID 89355930) is 1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylpentane.
What is the SMILES notation for 1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylpentane?
The canonical SMILES for 1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylpentane is CCC(C)CCOC(C)(C)CBr.
What is the InChIKey of 1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylpentane?
The InChIKey is RQKNRIYYJTYKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO/c1-5-9(2)6-7-12-10(3,4)8-11/h9H,5-8H2,1-4H3.
What are the key properties of 1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylpentane?
1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylpentane has a molecular weight of 237.18 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylpentane is sourced from PubChem (CID 89355930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).