2-(3-bromo-2-methylpropoxy)-4-methylpentane

C10H21BrO — CID 64995821

IUPAC2-(3-bromo-2-methylpropoxy)-4-methylpentane
SMILESCC(C)CC(C)OCC(C)CBr
InChIInChI=1S/C10H21BrO/c1-8(2)5-10(4)12-7-9(3)6-11/h8-10H,5-7H2,1-4H3
InChIKeyCFFKIDCNTAKPPO-UHFFFAOYSA-N
MW237.18 g/mol
LogP3.47
Rot. Bonds6

About 2-(3-bromo-2-methylpropoxy)-4-methylpentane

2-(3-bromo-2-methylpropoxy)-4-methylpentane (PubChem CID 64995821) has the molecular formula C10H21BrO and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-(3-bromo-2-methylpropoxy)-4-methylpentane.

Molecular Properties

Compound Name2-(3-bromo-2-methylpropoxy)-4-methylpentane
PubChem CID64995821
Molecular FormulaC10H21BrO
Molecular Weight237.18 g/mol
Exact Mass236.08
IUPAC Name2-(3-bromo-2-methylpropoxy)-4-methylpentane
SMILESCC(C)CC(C)OCC(C)CBr
InChIInChI=1S/C10H21BrO/c1-8(2)5-10(4)12-7-9(3)6-11/h8-10H,5-7H2,1-4H3
InChIKeyCFFKIDCNTAKPPO-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
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-bromo-2-methylpropyl) nitrate
CID 18714887
1-bromo-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
CID 12923290
1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclopropane
CID 65008912
2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid
CID 63074300
1-bromo-2-(methoxymethyl)-4-methylpentane
CID 103985154
1,8-dibromo-2,7-dimethyloctane
CID 170903621
1-(6-methylheptan-2-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60635420
2-acetamido-3-(4-methylpentan-2-yloxy)propanoic acid
CID 65442972
1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclohexane
CID 65001994
[(2S)-4-methylpentan-2-yl] 2-bromoacetate
CID 56607260
4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol
CID 113376237
3-(4-methylpentan-2-yloxy)-2-(propylamino)propan-1-ol
CID 64802796

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylpropoxy)-4-methylpentane?
The IUPAC name of 2-(3-bromo-2-methylpropoxy)-4-methylpentane (CID 64995821) is 2-(3-bromo-2-methylpropoxy)-4-methylpentane.
What is the SMILES notation for 2-(3-bromo-2-methylpropoxy)-4-methylpentane?
The canonical SMILES for 2-(3-bromo-2-methylpropoxy)-4-methylpentane is CC(C)CC(C)OCC(C)CBr.
What is the InChIKey of 2-(3-bromo-2-methylpropoxy)-4-methylpentane?
The InChIKey is CFFKIDCNTAKPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO/c1-8(2)5-10(4)12-7-9(3)6-11/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-(3-bromo-2-methylpropoxy)-4-methylpentane?
2-(3-bromo-2-methylpropoxy)-4-methylpentane has a molecular weight of 237.18 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylpropoxy)-4-methylpentane is sourced from PubChem (CID 64995821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).