3-bromo-1-(3-bromo-2-methylbutoxy)-2-methylbutane

C10H20Br2O — CID 19797590

IUPAC3-bromo-1-(3-bromo-2-methylbutoxy)-2-methylbutane
SMILESCC(Br)C(C)COCC(C)C(C)Br
InChIInChI=1S/C10H20Br2O/c1-7(9(3)11)5-13-6-8(2)10(4)12/h7-10H,5-6H2,1-4H3
InChIKeyNYESRDMFSMWXKS-UHFFFAOYSA-N
MW316.08 g/mol
LogP3.84
Rot. Bonds6

About 3-bromo-1-(3-bromo-2-methylbutoxy)-2-methylbutane

3-bromo-1-(3-bromo-2-methylbutoxy)-2-methylbutane (PubChem CID 19797590) has the molecular formula C10H20Br2O and a molecular weight of 316.08 g/mol. Its IUPAC name is 3-bromo-1-(3-bromo-2-methylbutoxy)-2-methylbutane.

Molecular Properties

Compound Name3-bromo-1-(3-bromo-2-methylbutoxy)-2-methylbutane
PubChem CID19797590
Molecular FormulaC10H20Br2O
Molecular Weight316.08 g/mol
Exact Mass313.99
IUPAC Name3-bromo-1-(3-bromo-2-methylbutoxy)-2-methylbutane
SMILESCC(Br)C(C)COCC(C)C(C)Br
InChIInChI=1S/C10H20Br2O/c1-7(9(3)11)5-13-6-8(2)10(4)12/h7-10H,5-6H2,1-4H3
InChIKeyNYESRDMFSMWXKS-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.08
LogP ≤ 53.84
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

CID 20474086
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CID 21434065
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CID 22094700
CID 22094700
CID 23454306
CID 23454306
CID 43135435
CID 43135435
CID 43165189
CID 43165189
CID 57220357
CID 57220357
CID 64994690
CID 64994690
CID 79453180
CID 79453180
CID 80392259
CID 80392259

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-bromo-2-methylbutoxy)-2-methylbutane?
The IUPAC name of 3-bromo-1-(3-bromo-2-methylbutoxy)-2-methylbutane (CID 19797590) is 3-bromo-1-(3-bromo-2-methylbutoxy)-2-methylbutane.
What is the SMILES notation for 3-bromo-1-(3-bromo-2-methylbutoxy)-2-methylbutane?
The canonical SMILES for 3-bromo-1-(3-bromo-2-methylbutoxy)-2-methylbutane is CC(Br)C(C)COCC(C)C(C)Br.
What is the InChIKey of 3-bromo-1-(3-bromo-2-methylbutoxy)-2-methylbutane?
The InChIKey is NYESRDMFSMWXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Br2O/c1-7(9(3)11)5-13-6-8(2)10(4)12/h7-10H,5-6H2,1-4H3.
What are the key properties of 3-bromo-1-(3-bromo-2-methylbutoxy)-2-methylbutane?
3-bromo-1-(3-bromo-2-methylbutoxy)-2-methylbutane has a molecular weight of 316.08 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3-bromo-2-methylbutoxy)-2-methylbutane is sourced from PubChem (CID 19797590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).