(Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene

C14H24Br2O3 — CID 175229356

IUPAC(Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene
SMILESBrCC/C=C\CCOCOCOCC/C=C\CCBr
InChIInChI=1S/C14H24Br2O3/c15-9-5-1-3-7-11-17-13-19-14-18-12-8-4-2-6-10-16/h1-4H,5-14H2/b3-1-,4-2-
InChIKeyZLUVZOXHLRAJDM-CCAGOZQPSA-N
MW400.15 g/mol
LogP4.41
Rot. Bonds14

About (Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene

(Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene (PubChem CID 175229356) has the molecular formula C14H24Br2O3 and a molecular weight of 400.15 g/mol. Its IUPAC name is (Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene.

Molecular Properties

Compound Name(Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene
PubChem CID175229356
Molecular FormulaC14H24Br2O3
Molecular Weight400.15 g/mol
Exact Mass398.01
IUPAC Name(Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene
SMILESBrCC/C=C\CCOCOCOCC/C=C\CCBr
InChIInChI=1S/C14H24Br2O3/c15-9-5-1-3-7-11-17-13-19-14-18-12-8-4-2-6-10-16/h1-4H,5-14H2/b3-1-,4-2-
InChIKeyZLUVZOXHLRAJDM-CCAGOZQPSA-N
XLogP4.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.15
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze (Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene with MolForge

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Related Compounds

1-[[(E)-6-bromohex-3-enoxy]methoxy]decane
CID 163205155
1-chloro-6-(6-chlorohex-3-enoxymethoxymethoxy)hex-3-ene
CID 175229318
(Z)-1-chloro-6-[[(Z)-6-chlorohex-3-enoxy]methoxymethoxy]hex-3-ene
CID 175229333
10-bromo-1-(hexoxymethoxy)dec-3-ene
CID 163204779
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
12-bromo-1-(heptoxymethoxy)dodec-3-ene
CID 172551604
10-bromo-1-(10-bromodec-3-enoxy)dec-3-ene
CID 91039228
1-[(Z)-6-bromohex-3-enyl]-4-[[4-[(Z)-6-bromohex-3-enyl]phenyl]methoxymethoxymethoxymethyl]benzene
CID 163288095
(E)-6-(ethoxymethoxy)hex-3-en-1-ol
CID 163205159
4-bromobut-1-enyl hypofluorite
CID 173399469

Frequently Asked Questions

What is the IUPAC name of (Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene?
The IUPAC name of (Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene (CID 175229356) is (Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene.
What is the SMILES notation for (Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene?
The canonical SMILES for (Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene is BrCC/C=C\CCOCOCOCC/C=C\CCBr.
What is the InChIKey of (Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene?
The InChIKey is ZLUVZOXHLRAJDM-CCAGOZQPSA-N. The full InChI is InChI=1S/C14H24Br2O3/c15-9-5-1-3-7-11-17-13-19-14-18-12-8-4-2-6-10-16/h1-4H,5-14H2/b3-1-,4-2-.
What are the key properties of (Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene?
(Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene has a molecular weight of 400.15 g/mol, XLogP of 4.41, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene is sourced from PubChem (CID 175229356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).