1-bromo-8-(1-ethoxyethoxy)octane

C12H25BrO2 — CID 12607748

IUPAC1-bromo-8-(1-ethoxyethoxy)octane
SMILESCCOC(C)OCCCCCCCCBr
InChIInChI=1S/C12H25BrO2/c1-3-14-12(2)15-11-9-7-5-4-6-8-10-13/h12H,3-11H2,1-2H3
InChIKeyLEUFSMBWRCIRHX-UHFFFAOYSA-N
MW281.23 g/mol
LogP4.12
Rot. Bonds11

About 1-bromo-8-(1-ethoxyethoxy)octane

1-bromo-8-(1-ethoxyethoxy)octane (PubChem CID 12607748) has the molecular formula C12H25BrO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 1-bromo-8-(1-ethoxyethoxy)octane.

Molecular Properties

Compound Name1-bromo-8-(1-ethoxyethoxy)octane
PubChem CID12607748
Molecular FormulaC12H25BrO2
Molecular Weight281.23 g/mol
Exact Mass280.10
IUPAC Name1-bromo-8-(1-ethoxyethoxy)octane
SMILESCCOC(C)OCCCCCCCCBr
InChIInChI=1S/C12H25BrO2/c1-3-14-12(2)15-11-9-7-5-4-6-8-10-13/h12H,3-11H2,1-2H3
InChIKeyLEUFSMBWRCIRHX-UHFFFAOYSA-N
XLogP4.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 54.12
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxyethane;stannane
CID 87529398
11-(1-ethoxyethoxy)undec-1-ene
CID 10900817
(E)-1-(1-ethoxyethoxy)heptadec-8-ene
CID 10496409
1,1-diethoxyethane
CID 7765
1,1-diethoxyethane;sulfane
CID 87563963
16-bromo-1,1-diethoxyhexadecane
CID 88601641
5-(1-ethoxyethoxy)pentyl-triphenylphosphanium
CID 71386152
2-(5-bromopentoxy)propanoic acid
CID 54133516
10-bromo-1,1-di(nonoxy)decane
CID 146509943
1-(7-bromo-1-octoxyheptoxy)octane
CID 146464261
1-bromo-4-[(2S)-1-methoxypropan-2-yl]oxybutane
CID 75406718
1-[2,3-bis(4-bromobutoxy)propoxy]hexadecane
CID 139648498

Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-(1-ethoxyethoxy)octane?
The IUPAC name of 1-bromo-8-(1-ethoxyethoxy)octane (CID 12607748) is 1-bromo-8-(1-ethoxyethoxy)octane.
What is the SMILES notation for 1-bromo-8-(1-ethoxyethoxy)octane?
The canonical SMILES for 1-bromo-8-(1-ethoxyethoxy)octane is CCOC(C)OCCCCCCCCBr.
What is the InChIKey of 1-bromo-8-(1-ethoxyethoxy)octane?
The InChIKey is LEUFSMBWRCIRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BrO2/c1-3-14-12(2)15-11-9-7-5-4-6-8-10-13/h12H,3-11H2,1-2H3.
What are the key properties of 1-bromo-8-(1-ethoxyethoxy)octane?
1-bromo-8-(1-ethoxyethoxy)octane has a molecular weight of 281.23 g/mol, XLogP of 4.12, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-(1-ethoxyethoxy)octane is sourced from PubChem (CID 12607748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).