1-bromo-6-(2-methylpropoxy)hexane

C10H21BrO — CID 22072586

IUPAC1-bromo-6-(2-methylpropoxy)hexane
SMILESCC(C)COCCCCCCBr
InChIInChI=1S/C10H21BrO/c1-10(2)9-12-8-6-4-3-5-7-11/h10H,3-9H2,1-2H3
InChIKeyOLGKRRDCIGOXDN-UHFFFAOYSA-N
MW237.18 g/mol
LogP3.61
Rot. Bonds8

About 1-bromo-6-(2-methylpropoxy)hexane

1-bromo-6-(2-methylpropoxy)hexane (PubChem CID 22072586) has the molecular formula C10H21BrO and a molecular weight of 237.18 g/mol. Its IUPAC name is 1-bromo-6-(2-methylpropoxy)hexane.

Molecular Properties

Compound Name1-bromo-6-(2-methylpropoxy)hexane
PubChem CID22072586
Molecular FormulaC10H21BrO
Molecular Weight237.18 g/mol
Exact Mass236.08
IUPAC Name1-bromo-6-(2-methylpropoxy)hexane
SMILESCC(C)COCCCCCCBr
InChIInChI=1S/C10H21BrO/c1-10(2)9-12-8-6-4-3-5-7-11/h10H,3-9H2,1-2H3
InChIKeyOLGKRRDCIGOXDN-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-6-(tert-butoxy)hexane
CID 13491371
Heptane, 1-bromo-7-(1,1-dimethylethoxy)-
CID 10901082
Bis-(6-bromo-hexyl)-ether
CID 53845814
(r)-(+)-1-Bromo-6-t-butoxy-4-methylhexane
CID 129775794
1-Bromo-6-ethoxyhexane
CID 11735938
1-(4-Bromobutoxy)pentane
CID 13574764
2-Bromo-1-ethoxyhexane
CID 13634282
1-(2-Bromoethoxy)hexane
CID 13972018
1-(4-Bromobutoxy)heptane
CID 15208133
1-Bromo-1-ethoxyhexane
CID 19753610
1-Bromo-6-hexoxyhexane
CID 19987539
1-(6-Bromohexoxy)-5-methylhexane
CID 19987541

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-(2-methylpropoxy)hexane?
The IUPAC name of 1-bromo-6-(2-methylpropoxy)hexane (CID 22072586) is 1-bromo-6-(2-methylpropoxy)hexane.
What is the SMILES notation for 1-bromo-6-(2-methylpropoxy)hexane?
The canonical SMILES for 1-bromo-6-(2-methylpropoxy)hexane is CC(C)COCCCCCCBr.
What is the InChIKey of 1-bromo-6-(2-methylpropoxy)hexane?
The InChIKey is OLGKRRDCIGOXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO/c1-10(2)9-12-8-6-4-3-5-7-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-bromo-6-(2-methylpropoxy)hexane?
1-bromo-6-(2-methylpropoxy)hexane has a molecular weight of 237.18 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-(2-methylpropoxy)hexane is sourced from PubChem (CID 22072586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).