(Z)-6-bromo-1,1-diethoxyhex-3-ene

C10H19BrO2 — CID 15851979

IUPAC(Z)-6-bromo-1,1-diethoxyhex-3-ene
SMILESCCOC(C/C=C\CCBr)OCC
InChIInChI=1S/C10H19BrO2/c1-3-12-10(13-4-2)8-6-5-7-9-11/h5-6,10H,3-4,7-9H2,1-2H3/b6-5-
InChIKeyDIAITKDRAFWBCR-WAYWQWQTSA-N
MW251.16 g/mol
LogP3.12
Rot. Bonds8

About (Z)-6-bromo-1,1-diethoxyhex-3-ene

(Z)-6-bromo-1,1-diethoxyhex-3-ene (PubChem CID 15851979) has the molecular formula C10H19BrO2 and a molecular weight of 251.16 g/mol. Its IUPAC name is (Z)-6-bromo-1,1-diethoxyhex-3-ene.

Molecular Properties

Compound Name(Z)-6-bromo-1,1-diethoxyhex-3-ene
PubChem CID15851979
Molecular FormulaC10H19BrO2
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Name(Z)-6-bromo-1,1-diethoxyhex-3-ene
SMILESCCOC(C/C=C\CCBr)OCC
InChIInChI=1S/C10H19BrO2/c1-3-12-10(13-4-2)8-6-5-7-9-11/h5-6,10H,3-4,7-9H2,1-2H3/b6-5-
InChIKeyDIAITKDRAFWBCR-WAYWQWQTSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (Z)-6-bromo-1,1-diethoxyhex-3-ene?
The IUPAC name of (Z)-6-bromo-1,1-diethoxyhex-3-ene (CID 15851979) is (Z)-6-bromo-1,1-diethoxyhex-3-ene.
What is the SMILES notation for (Z)-6-bromo-1,1-diethoxyhex-3-ene?
The canonical SMILES for (Z)-6-bromo-1,1-diethoxyhex-3-ene is CCOC(C/C=C\CCBr)OCC.
What is the InChIKey of (Z)-6-bromo-1,1-diethoxyhex-3-ene?
The InChIKey is DIAITKDRAFWBCR-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H19BrO2/c1-3-12-10(13-4-2)8-6-5-7-9-11/h5-6,10H,3-4,7-9H2,1-2H3/b6-5-.
What are the key properties of (Z)-6-bromo-1,1-diethoxyhex-3-ene?
(Z)-6-bromo-1,1-diethoxyhex-3-ene has a molecular weight of 251.16 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-bromo-1,1-diethoxyhex-3-ene is sourced from PubChem (CID 15851979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).