2-bromo-1-ethoxy-3,3-dimethylbutane

C8H17BrO — CID 12560784

IUPAC2-bromo-1-ethoxy-3,3-dimethylbutane
SMILESCCOCC(Br)C(C)(C)C
InChIInChI=1S/C8H17BrO/c1-5-10-6-7(9)8(2,3)4/h7H,5-6H2,1-4H3
InChIKeyZCHQLZDSAYVGFF-UHFFFAOYSA-N
MW209.13 g/mol
LogP2.83
Rot. Bonds3

About 2-bromo-1-ethoxy-3,3-dimethylbutane

2-bromo-1-ethoxy-3,3-dimethylbutane (PubChem CID 12560784) has the molecular formula C8H17BrO and a molecular weight of 209.13 g/mol. Its IUPAC name is 2-bromo-1-ethoxy-3,3-dimethylbutane.

Molecular Properties

Compound Name2-bromo-1-ethoxy-3,3-dimethylbutane
PubChem CID12560784
Molecular FormulaC8H17BrO
Molecular Weight209.13 g/mol
Exact Mass208.05
IUPAC Name2-bromo-1-ethoxy-3,3-dimethylbutane
SMILESCCOCC(Br)C(C)(C)C
InChIInChI=1S/C8H17BrO/c1-5-10-6-7(9)8(2,3)4/h7H,5-6H2,1-4H3
InChIKeyZCHQLZDSAYVGFF-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 52.83
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

1-Bromo-4-methoxy-2,2-dimethylbutane
CID 66050588
2-(Bromomethyl)-1-methoxy-2-methylbutane
CID 76082623
3-Bromo-1-(3-bromo-2-methylbutoxy)-2-methylbutane
CID 19797590
1-(4-Bromobutoxy)-3-methylbutane
CID 21434065
1-(3-Bromopropoxy)-3-methylbutane
CID 43135435
(2S)-1-bromo-2-(methoxymethyl)-2-methylbutane
CID 53903948
1-(Bromomethyl)-1-(butoxymethyl)cyclopropane
CID 65008913
1-(2-Bromoethoxy)-3,3-dimethylbutane
CID 66234057
1-(4-Bromobutoxy)-3,3-dimethylbutane
CID 66234058
1-(3-Bromopropoxy)-2-methylbutane
CID 86068453
1-(4-Bromobutoxy)-2-methylbutane
CID 86068455
(2S)-1-(4-bromobutoxy)-2-methylbutane
CID 87891519

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-ethoxy-3,3-dimethylbutane?
The IUPAC name of 2-bromo-1-ethoxy-3,3-dimethylbutane (CID 12560784) is 2-bromo-1-ethoxy-3,3-dimethylbutane.
What is the SMILES notation for 2-bromo-1-ethoxy-3,3-dimethylbutane?
The canonical SMILES for 2-bromo-1-ethoxy-3,3-dimethylbutane is CCOCC(Br)C(C)(C)C.
What is the InChIKey of 2-bromo-1-ethoxy-3,3-dimethylbutane?
The InChIKey is ZCHQLZDSAYVGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BrO/c1-5-10-6-7(9)8(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of 2-bromo-1-ethoxy-3,3-dimethylbutane?
2-bromo-1-ethoxy-3,3-dimethylbutane has a molecular weight of 209.13 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-ethoxy-3,3-dimethylbutane is sourced from PubChem (CID 12560784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).