1-bromo-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane

C10H21BrO2 — CID 112587518

IUPAC1-bromo-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane
SMILESCC(CBr)COCCOC(C)(C)C
InChIInChI=1S/C10H21BrO2/c1-9(7-11)8-12-5-6-13-10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyNBENOCJQKMBEFF-UHFFFAOYSA-N
MW253.18 g/mol
LogP2.85
Rot. Bonds6

About 1-bromo-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane

1-bromo-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane (PubChem CID 112587518) has the molecular formula C10H21BrO2 and a molecular weight of 253.18 g/mol. Its IUPAC name is 1-bromo-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane.

Molecular Properties

Compound Name1-bromo-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane
PubChem CID112587518
Molecular FormulaC10H21BrO2
Molecular Weight253.18 g/mol
Exact Mass252.07
IUPAC Name1-bromo-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane
SMILESCC(CBr)COCCOC(C)(C)C
InChIInChI=1S/C10H21BrO2/c1-9(7-11)8-12-5-6-13-10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyNBENOCJQKMBEFF-UHFFFAOYSA-N
XLogP2.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-3-[(2-methylpropan-2-yl)oxy]propane
CID 12923290
(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
CID 103939491
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
1-[(2-methylpropan-2-yl)oxy]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-ol
CID 155627567
4,4-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-yloxy]pent-2-yne
CID 165380005
N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine
CID 112587358
1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropoxy)butane
CID 139316790
1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane
CID 173256840
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine
CID 112587422
2,2-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134553502
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylpropane
CID 134553507
1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]propane
CID 122607174

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane?
The IUPAC name of 1-bromo-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane (CID 112587518) is 1-bromo-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane.
What is the SMILES notation for 1-bromo-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane?
The canonical SMILES for 1-bromo-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane is CC(CBr)COCCOC(C)(C)C.
What is the InChIKey of 1-bromo-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane?
The InChIKey is NBENOCJQKMBEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO2/c1-9(7-11)8-12-5-6-13-10(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of 1-bromo-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane?
1-bromo-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane has a molecular weight of 253.18 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane is sourced from PubChem (CID 112587518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).