5-bromopent-1-ene;hex-1-yne;undec-1-en-6-yne

C22H37Br — CID 161104978

IUPAC5-bromopent-1-ene;hex-1-yne;undec-1-en-6-yne
SMILESC#CCCCC.C=CCCCBr.C=CCCCC#CCCCC
InChIInChI=1S/C11H18.C6H10.C5H9Br/c1-3-5-7-9-11-10-8-6-4-2;1-3-5-6-4-2;1-2-3-4-5-6/h3H,1,4-9H2,2H3;1H,4-6H2,2H3;2H,1,3-5H2
InChIKeyUIXXBQWMDYANLA-UHFFFAOYSA-N
MW381.44 g/mol
LogP7.69
Rot. Bonds10

About 5-bromopent-1-ene;hex-1-yne;undec-1-en-6-yne

5-bromopent-1-ene;hex-1-yne;undec-1-en-6-yne (PubChem CID 161104978) has the molecular formula C22H37Br and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-bromopent-1-ene;hex-1-yne;undec-1-en-6-yne.

Molecular Properties

Compound Name5-bromopent-1-ene;hex-1-yne;undec-1-en-6-yne
PubChem CID161104978
Molecular FormulaC22H37Br
Molecular Weight381.44 g/mol
Exact Mass380.21
IUPAC Name5-bromopent-1-ene;hex-1-yne;undec-1-en-6-yne
SMILESC#CCCCC.C=CCCCBr.C=CCCCC#CCCCC
InChIInChI=1S/C11H18.C6H10.C5H9Br/c1-3-5-7-9-11-10-8-6-4-2;1-3-5-6-4-2;1-2-3-4-5-6/h3H,1,4-9H2,2H3;1H,4-6H2,2H3;2H,1,3-5H2
InChIKeyUIXXBQWMDYANLA-UHFFFAOYSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromopent-1-ene;hex-1-yne;undec-1-en-6-yne?
The IUPAC name of 5-bromopent-1-ene;hex-1-yne;undec-1-en-6-yne (CID 161104978) is 5-bromopent-1-ene;hex-1-yne;undec-1-en-6-yne.
What is the SMILES notation for 5-bromopent-1-ene;hex-1-yne;undec-1-en-6-yne?
The canonical SMILES for 5-bromopent-1-ene;hex-1-yne;undec-1-en-6-yne is C#CCCCC.C=CCCCBr.C=CCCCC#CCCCC.
What is the InChIKey of 5-bromopent-1-ene;hex-1-yne;undec-1-en-6-yne?
The InChIKey is UIXXBQWMDYANLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18.C6H10.C5H9Br/c1-3-5-7-9-11-10-8-6-4-2;1-3-5-6-4-2;1-2-3-4-5-6/h3H,1,4-9H2,2H3;1H,4-6H2,2H3;2H,1,3-5H2.
What are the key properties of 5-bromopent-1-ene;hex-1-yne;undec-1-en-6-yne?
5-bromopent-1-ene;hex-1-yne;undec-1-en-6-yne has a molecular weight of 381.44 g/mol, XLogP of 7.69, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopent-1-ene;hex-1-yne;undec-1-en-6-yne is sourced from PubChem (CID 161104978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).