14-bromo-1-(decoxymethoxy)tetradec-3-ene

C25H49BrO2 — CID 163204993

IUPAC14-bromo-1-(decoxymethoxy)tetradec-3-ene
SMILESCCCCCCCCCCOCOCCC=CCCCCCCCCCCBr
InChIInChI=1S/C25H49BrO2/c1-2-3-4-5-6-14-17-20-23-27-25-28-24-21-18-15-12-10-8-7-9-11-13-16-19-22-26/h15,18H,2-14,16-17,19-25H2,1H3
InChIKeyBTBVUBSZCXEHOJ-UHFFFAOYSA-N
MW461.57 g/mol
LogP8.97
Rot. Bonds24

About 14-bromo-1-(decoxymethoxy)tetradec-3-ene

14-bromo-1-(decoxymethoxy)tetradec-3-ene (PubChem CID 163204993) has the molecular formula C25H49BrO2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 14-bromo-1-(decoxymethoxy)tetradec-3-ene.

Molecular Properties

Compound Name14-bromo-1-(decoxymethoxy)tetradec-3-ene
PubChem CID163204993
Molecular FormulaC25H49BrO2
Molecular Weight461.57 g/mol
Exact Mass460.29
IUPAC Name14-bromo-1-(decoxymethoxy)tetradec-3-ene
SMILESCCCCCCCCCCOCOCCC=CCCCCCCCCCCBr
InChIInChI=1S/C25H49BrO2/c1-2-3-4-5-6-14-17-20-23-27-25-28-24-21-18-15-12-10-8-7-9-11-13-16-19-22-26/h15,18H,2-14,16-17,19-25H2,1H3
InChIKeyBTBVUBSZCXEHOJ-UHFFFAOYSA-N
XLogP8.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 58.97
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
10-bromo-1-(hexoxymethoxy)dec-3-ene
CID 163204779
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 14-bromo-1-(decoxymethoxy)tetradec-3-ene?
The IUPAC name of 14-bromo-1-(decoxymethoxy)tetradec-3-ene (CID 163204993) is 14-bromo-1-(decoxymethoxy)tetradec-3-ene.
What is the SMILES notation for 14-bromo-1-(decoxymethoxy)tetradec-3-ene?
The canonical SMILES for 14-bromo-1-(decoxymethoxy)tetradec-3-ene is CCCCCCCCCCOCOCCC=CCCCCCCCCCCBr.
What is the InChIKey of 14-bromo-1-(decoxymethoxy)tetradec-3-ene?
The InChIKey is BTBVUBSZCXEHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49BrO2/c1-2-3-4-5-6-14-17-20-23-27-25-28-24-21-18-15-12-10-8-7-9-11-13-16-19-22-26/h15,18H,2-14,16-17,19-25H2,1H3.
What are the key properties of 14-bromo-1-(decoxymethoxy)tetradec-3-ene?
14-bromo-1-(decoxymethoxy)tetradec-3-ene has a molecular weight of 461.57 g/mol, XLogP of 8.97, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-bromo-1-(decoxymethoxy)tetradec-3-ene is sourced from PubChem (CID 163204993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).