(Z)-4-(2-bromo-1-ethoxyethoxy)but-2-en-1-ol

C8H15BrO3 — CID 10728670

IUPAC(Z)-4-(2-bromo-1-ethoxyethoxy)but-2-en-1-ol
SMILESCCOC(CBr)OC/C=C\CO
InChIInChI=1S/C8H15BrO3/c1-2-11-8(7-9)12-6-4-3-5-10/h3-4,8,10H,2,5-7H2,1H3/b4-3-
InChIKeyOARVDLKWQXLVMV-ARJAWSKDSA-N
MW239.11 g/mol
LogP1.31
Rot. Bonds7

About (Z)-4-(2-bromo-1-ethoxyethoxy)but-2-en-1-ol

(Z)-4-(2-bromo-1-ethoxyethoxy)but-2-en-1-ol (PubChem CID 10728670) has the molecular formula C8H15BrO3 and a molecular weight of 239.11 g/mol. Its IUPAC name is (Z)-4-(2-bromo-1-ethoxyethoxy)but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(2-bromo-1-ethoxyethoxy)but-2-en-1-ol
PubChem CID10728670
Molecular FormulaC8H15BrO3
Molecular Weight239.11 g/mol
Exact Mass238.02
IUPAC Name(Z)-4-(2-bromo-1-ethoxyethoxy)but-2-en-1-ol
SMILESCCOC(CBr)OC/C=C\CO
InChIInChI=1S/C8H15BrO3/c1-2-11-8(7-9)12-6-4-3-5-10/h3-4,8,10H,2,5-7H2,1H3/b4-3-
InChIKeyOARVDLKWQXLVMV-ARJAWSKDSA-N
XLogP1.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-5,5-diethoxypent-2-en-1-ol
CID 12533995
[3-(2,2-diethoxyethyl)oxiran-2-yl]methanol;(E)-5,5-diethoxypent-2-en-1-ol
CID 158250745
3-bromo-1,1-diethoxybutane
CID 12682404
(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-ol
CID 66634642
4-bromo-1,1-diethoxybutane
CID 568500
4-but-2-enoxybut-2-en-1-ol
CID 76540479
(5E)-4-(2-bromo-1-ethoxyethoxy)nona-1,5-diene
CID 134936737
(E)-16,16-diethoxyhexadec-3-en-1-ol
CID 163205889
5,5-diethoxypent-2-yn-1-ol
CID 12720734
4-hydroxybut-2-enyl acetate
CID 54073989
(E)-4-bromo-1,1-diethoxybut-2-ene
CID 14179247
CID 175978360
CID 175978360

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-bromo-1-ethoxyethoxy)but-2-en-1-ol?
The IUPAC name of (Z)-4-(2-bromo-1-ethoxyethoxy)but-2-en-1-ol (CID 10728670) is (Z)-4-(2-bromo-1-ethoxyethoxy)but-2-en-1-ol.
What is the SMILES notation for (Z)-4-(2-bromo-1-ethoxyethoxy)but-2-en-1-ol?
The canonical SMILES for (Z)-4-(2-bromo-1-ethoxyethoxy)but-2-en-1-ol is CCOC(CBr)OC/C=C\CO.
What is the InChIKey of (Z)-4-(2-bromo-1-ethoxyethoxy)but-2-en-1-ol?
The InChIKey is OARVDLKWQXLVMV-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H15BrO3/c1-2-11-8(7-9)12-6-4-3-5-10/h3-4,8,10H,2,5-7H2,1H3/b4-3-.
What are the key properties of (Z)-4-(2-bromo-1-ethoxyethoxy)but-2-en-1-ol?
(Z)-4-(2-bromo-1-ethoxyethoxy)but-2-en-1-ol has a molecular weight of 239.11 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-bromo-1-ethoxyethoxy)but-2-en-1-ol is sourced from PubChem (CID 10728670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).