2,3-bis(4-bromobutoxy)-2,3-dimethylbutane

C14H28Br2O2 — CID 139648621

IUPAC2,3-bis(4-bromobutoxy)-2,3-dimethylbutane
SMILESCC(C)(OCCCCBr)C(C)(C)OCCCCBr
InChIInChI=1S/C14H28Br2O2/c1-13(2,17-11-7-5-9-15)14(3,4)18-12-8-6-10-16/h5-12H2,1-4H3
InChIKeyQPFSARPWDOXBBG-UHFFFAOYSA-N
MW388.18 g/mol
LogP4.93
Rot. Bonds11

About 2,3-bis(4-bromobutoxy)-2,3-dimethylbutane

2,3-bis(4-bromobutoxy)-2,3-dimethylbutane (PubChem CID 139648621) has the molecular formula C14H28Br2O2 and a molecular weight of 388.18 g/mol. Its IUPAC name is 2,3-bis(4-bromobutoxy)-2,3-dimethylbutane.

Molecular Properties

Compound Name2,3-bis(4-bromobutoxy)-2,3-dimethylbutane
PubChem CID139648621
Molecular FormulaC14H28Br2O2
Molecular Weight388.18 g/mol
Exact Mass386.05
IUPAC Name2,3-bis(4-bromobutoxy)-2,3-dimethylbutane
SMILESCC(C)(OCCCCBr)C(C)(C)OCCCCBr
InChIInChI=1S/C14H28Br2O2/c1-13(2,17-11-7-5-9-15)14(3,4)18-12-8-6-10-16/h5-12H2,1-4H3
InChIKeyQPFSARPWDOXBBG-UHFFFAOYSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.18
LogP ≤ 54.93
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

CID 87115712
CID 87115712
[1-(4-bromobutoxy)-2-methylpropan-2-yl]-dimethylsilane
CID 173114080
1,8-bis(4-bromobutoxy)octane
CID 139648501
1,5-bis(4-bromobutoxy)pentane
CID 139648570
4-bromobutyl 3,3-dimethylbutanoate
CID 121289442
2-[3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-yl]oxyethanol
CID 12660638
1-(5-bromopentoxy)-4-tert-butylbenzene
CID 5186697
1-bromo-8-butoxyoctane
CID 88564770
1-bromo-7-heptoxyheptane
CID 59707760
2-(3-bromopropoxy)-1,1,1,2,3,3,3-heptafluoropropane
CID 59689354
1-(6-bromohexoxy)decane
CID 163381140
5-(4-bromobutoxy)-3-methylpentane-1,3-diol
CID 139648581

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-bromobutoxy)-2,3-dimethylbutane?
The IUPAC name of 2,3-bis(4-bromobutoxy)-2,3-dimethylbutane (CID 139648621) is 2,3-bis(4-bromobutoxy)-2,3-dimethylbutane.
What is the SMILES notation for 2,3-bis(4-bromobutoxy)-2,3-dimethylbutane?
The canonical SMILES for 2,3-bis(4-bromobutoxy)-2,3-dimethylbutane is CC(C)(OCCCCBr)C(C)(C)OCCCCBr.
What is the InChIKey of 2,3-bis(4-bromobutoxy)-2,3-dimethylbutane?
The InChIKey is QPFSARPWDOXBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28Br2O2/c1-13(2,17-11-7-5-9-15)14(3,4)18-12-8-6-10-16/h5-12H2,1-4H3.
What are the key properties of 2,3-bis(4-bromobutoxy)-2,3-dimethylbutane?
2,3-bis(4-bromobutoxy)-2,3-dimethylbutane has a molecular weight of 388.18 g/mol, XLogP of 4.93, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-bromobutoxy)-2,3-dimethylbutane is sourced from PubChem (CID 139648621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).