10-bromo-1-(10-bromodec-3-enoxy)dec-3-ene

C20H36Br2O — CID 91039228

IUPAC10-bromo-1-(10-bromodec-3-enoxy)dec-3-ene
SMILESBrCCCCCCC=CCCOCCC=CCCCCCCBr
InChIInChI=1S/C20H36Br2O/c21-17-13-9-5-1-3-7-11-15-19-23-20-16-12-8-4-2-6-10-14-18-22/h7-8,11-12H,1-6,9-10,13-20H2
InChIKeyNTUROTXKUZPANL-UHFFFAOYSA-N
MW452.32 g/mol
LogP7.59
Rot. Bonds18

About 10-bromo-1-(10-bromodec-3-enoxy)dec-3-ene

10-bromo-1-(10-bromodec-3-enoxy)dec-3-ene (PubChem CID 91039228) has the molecular formula C20H36Br2O and a molecular weight of 452.32 g/mol. Its IUPAC name is 10-bromo-1-(10-bromodec-3-enoxy)dec-3-ene.

Molecular Properties

Compound Name10-bromo-1-(10-bromodec-3-enoxy)dec-3-ene
PubChem CID91039228
Molecular FormulaC20H36Br2O
Molecular Weight452.32 g/mol
Exact Mass450.11
IUPAC Name10-bromo-1-(10-bromodec-3-enoxy)dec-3-ene
SMILESBrCCCCCCC=CCCOCCC=CCCCCCCBr
InChIInChI=1S/C20H36Br2O/c21-17-13-9-5-1-3-7-11-15-19-23-20-16-12-8-4-2-6-10-14-18-22/h7-8,11-12H,1-6,9-10,13-20H2
InChIKeyNTUROTXKUZPANL-UHFFFAOYSA-N
XLogP7.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.32
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 168864699
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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
9-bromo-1-iodonon-2-ene
CID 171472261
1,12-dibromododec-2-ene
CID 54440565
1,7-dibromohept-2-ene
CID 171472304
(Z)-12-bromododec-3-en-1-ol
CID 163205087
(Z)-16-bromohexadec-5-ene
CID 11645149
(Z)-1-bromotetradec-6-ene
CID 58641109

Frequently Asked Questions

What is the IUPAC name of 10-bromo-1-(10-bromodec-3-enoxy)dec-3-ene?
The IUPAC name of 10-bromo-1-(10-bromodec-3-enoxy)dec-3-ene (CID 91039228) is 10-bromo-1-(10-bromodec-3-enoxy)dec-3-ene.
What is the SMILES notation for 10-bromo-1-(10-bromodec-3-enoxy)dec-3-ene?
The canonical SMILES for 10-bromo-1-(10-bromodec-3-enoxy)dec-3-ene is BrCCCCCCC=CCCOCCC=CCCCCCCBr.
What is the InChIKey of 10-bromo-1-(10-bromodec-3-enoxy)dec-3-ene?
The InChIKey is NTUROTXKUZPANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36Br2O/c21-17-13-9-5-1-3-7-11-15-19-23-20-16-12-8-4-2-6-10-14-18-22/h7-8,11-12H,1-6,9-10,13-20H2.
What are the key properties of 10-bromo-1-(10-bromodec-3-enoxy)dec-3-ene?
10-bromo-1-(10-bromodec-3-enoxy)dec-3-ene has a molecular weight of 452.32 g/mol, XLogP of 7.59, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-1-(10-bromodec-3-enoxy)dec-3-ene is sourced from PubChem (CID 91039228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).