10-bromo-1-(hexoxymethoxy)dec-3-ene

C17H33BrO2 — CID 163204779

IUPAC10-bromo-1-(hexoxymethoxy)dec-3-ene
SMILESCCCCCCOCOCCC=CCCCCCCBr
InChIInChI=1S/C17H33BrO2/c1-2-3-4-12-15-19-17-20-16-13-10-8-6-5-7-9-11-14-18/h8,10H,2-7,9,11-17H2,1H3
InChIKeyPHVBNOOGLRAWDN-UHFFFAOYSA-N
MW349.35 g/mol
LogP5.85
Rot. Bonds16

About 10-bromo-1-(hexoxymethoxy)dec-3-ene

10-bromo-1-(hexoxymethoxy)dec-3-ene (PubChem CID 163204779) has the molecular formula C17H33BrO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 10-bromo-1-(hexoxymethoxy)dec-3-ene.

Molecular Properties

Compound Name10-bromo-1-(hexoxymethoxy)dec-3-ene
PubChem CID163204779
Molecular FormulaC17H33BrO2
Molecular Weight349.35 g/mol
Exact Mass348.17
IUPAC Name10-bromo-1-(hexoxymethoxy)dec-3-ene
SMILESCCCCCCOCOCCC=CCCCCCCBr
InChIInChI=1S/C17H33BrO2/c1-2-3-4-12-15-19-17-20-16-13-10-8-6-5-7-9-11-14-18/h8,10H,2-7,9,11-17H2,1H3
InChIKeyPHVBNOOGLRAWDN-UHFFFAOYSA-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
12-bromo-1-(heptoxymethoxy)dodec-3-ene
CID 172551604
1-[[(E)-6-bromohex-3-enoxy]methoxy]decane
CID 163205155
14-iodo-1-(pentoxymethoxy)tetradec-3-ene
CID 163205149
1-(decoxymethoxy)-12-iodododec-3-ene
CID 172551606
10-iodo-1-(octoxymethoxy)dec-3-ene
CID 163205018
(Z)-1-bromotetradec-6-ene
CID 58641109
(E)-18-bromooctadec-6-ene
CID 10711567
10-bromo-1-(10-bromodec-3-enoxy)dec-3-ene
CID 91039228
(E)-1-bromoundec-5-ene
CID 13044969

Frequently Asked Questions

What is the IUPAC name of 10-bromo-1-(hexoxymethoxy)dec-3-ene?
The IUPAC name of 10-bromo-1-(hexoxymethoxy)dec-3-ene (CID 163204779) is 10-bromo-1-(hexoxymethoxy)dec-3-ene.
What is the SMILES notation for 10-bromo-1-(hexoxymethoxy)dec-3-ene?
The canonical SMILES for 10-bromo-1-(hexoxymethoxy)dec-3-ene is CCCCCCOCOCCC=CCCCCCCBr.
What is the InChIKey of 10-bromo-1-(hexoxymethoxy)dec-3-ene?
The InChIKey is PHVBNOOGLRAWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33BrO2/c1-2-3-4-12-15-19-17-20-16-13-10-8-6-5-7-9-11-14-18/h8,10H,2-7,9,11-17H2,1H3.
What are the key properties of 10-bromo-1-(hexoxymethoxy)dec-3-ene?
10-bromo-1-(hexoxymethoxy)dec-3-ene 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 10-bromo-1-(hexoxymethoxy)dec-3-ene is sourced from PubChem (CID 163204779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).