1-[[(E)-6-bromohex-3-enoxy]methoxy]decane

C17H33BrO2 — CID 163205155

IUPAC1-[[(E)-6-bromohex-3-enoxy]methoxy]decane
SMILESCCCCCCCCCCOCOCC/C=C/CCBr
InChIInChI=1S/C17H33BrO2/c1-2-3-4-5-6-7-9-12-15-19-17-20-16-13-10-8-11-14-18/h8,10H,2-7,9,11-17H2,1H3/b10-8+
InChIKeyQHPSPBTYENHPGL-CSKARUKUSA-N
MW349.35 g/mol
LogP5.85
Rot. Bonds16

About 1-[[(E)-6-bromohex-3-enoxy]methoxy]decane

1-[[(E)-6-bromohex-3-enoxy]methoxy]decane (PubChem CID 163205155) has the molecular formula C17H33BrO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 1-[[(E)-6-bromohex-3-enoxy]methoxy]decane.

Molecular Properties

Compound Name1-[[(E)-6-bromohex-3-enoxy]methoxy]decane
PubChem CID163205155
Molecular FormulaC17H33BrO2
Molecular Weight349.35 g/mol
Exact Mass348.17
IUPAC Name1-[[(E)-6-bromohex-3-enoxy]methoxy]decane
SMILESCCCCCCCCCCOCOCC/C=C/CCBr
InChIInChI=1S/C17H33BrO2/c1-2-3-4-5-6-7-9-12-15-19-17-20-16-13-10-8-11-14-18/h8,10H,2-7,9,11-17H2,1H3/b10-8+
InChIKeyQHPSPBTYENHPGL-CSKARUKUSA-N
XLogP5.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.35
LogP ≤ 55.85
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

14-bromo-1-(nonoxymethoxy)tetradec-3-ene
CID 163204951
10-bromo-1-(pentoxymethoxy)dec-3-ene
CID 163204735
14-bromo-1-(decoxymethoxy)tetradec-3-ene
CID 163204993
10-bromo-1-(hexoxymethoxy)dec-3-ene
CID 163204779
12-bromo-1-(heptoxymethoxy)dodec-3-ene
CID 172551604
1-(decoxymethoxy)-12-iodododec-3-ene
CID 172551606
lithium 1-[[(Z)-hex-3-enoxy]methoxy]decane
CID 163204789
lithium 1-(hex-3-enoxymethoxy)heptane
CID 175218624
14-iodo-1-(pentoxymethoxy)tetradec-3-ene
CID 163205149
10-iodo-1-(octoxymethoxy)dec-3-ene
CID 163205018
(Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene
CID 175229356
magnesium;(Z)-1-(pentoxymethoxy)hex-3-ene;iodide
CID 163204937

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-6-bromohex-3-enoxy]methoxy]decane?
The IUPAC name of 1-[[(E)-6-bromohex-3-enoxy]methoxy]decane (CID 163205155) is 1-[[(E)-6-bromohex-3-enoxy]methoxy]decane.
What is the SMILES notation for 1-[[(E)-6-bromohex-3-enoxy]methoxy]decane?
The canonical SMILES for 1-[[(E)-6-bromohex-3-enoxy]methoxy]decane is CCCCCCCCCCOCOCC/C=C/CCBr.
What is the InChIKey of 1-[[(E)-6-bromohex-3-enoxy]methoxy]decane?
The InChIKey is QHPSPBTYENHPGL-CSKARUKUSA-N. The full InChI is InChI=1S/C17H33BrO2/c1-2-3-4-5-6-7-9-12-15-19-17-20-16-13-10-8-11-14-18/h8,10H,2-7,9,11-17H2,1H3/b10-8+.
What are the key properties of 1-[[(E)-6-bromohex-3-enoxy]methoxy]decane?
1-[[(E)-6-bromohex-3-enoxy]methoxy]decane has a molecular weight of 349.35 g/mol, XLogP of 5.85, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-6-bromohex-3-enoxy]methoxy]decane is sourced from PubChem (CID 163205155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).