1-bromodec-4-yne

C10H17Br — CID 22621683

IUPAC1-bromodec-4-yne
SMILESCCCCCC#CCCCBr
InChIInChI=1S/C10H17Br/c1-2-3-4-5-6-7-8-9-10-11/h2-5,8-10H2,1H3
InChIKeyLZKPXVBLNTWIDQ-UHFFFAOYSA-N
MW217.15 g/mol
LogP3.75
Rot. Bonds5

About 1-bromodec-4-yne

1-bromodec-4-yne (PubChem CID 22621683) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is 1-bromodec-4-yne.

Molecular Properties

Compound Name1-bromodec-4-yne
PubChem CID22621683
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name1-bromodec-4-yne
SMILESCCCCCC#CCCCBr
InChIInChI=1S/C10H17Br/c1-2-3-4-5-6-7-8-9-10-11/h2-5,8-10H2,1H3
InChIKeyLZKPXVBLNTWIDQ-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 53.75
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-bromoundec-4-yne
CID 86210220
henicos-8-yne
CID 22224321
1-bromodocos-2-yne
CID 172558886
1-bromododeca-5,7-diyne
CID 125480543
pentacos-4-yne
CID 22223888
nonacos-4-yne
CID 22223961
hexadeca-3,9-diyne
CID 54568863
hexacos-3-yne
CID 22223851
(E)-1-bromoundec-2-en-5-yne
CID 11287641
icosa-5,8,11-triyne
CID 139696043
undec-5-yn-1-ol
CID 13113234
oct-2-yne-1-thiol
CID 21402428

Frequently Asked Questions

What is the IUPAC name of 1-bromodec-4-yne?
The IUPAC name of 1-bromodec-4-yne (CID 22621683) is 1-bromodec-4-yne.
What is the SMILES notation for 1-bromodec-4-yne?
The canonical SMILES for 1-bromodec-4-yne is CCCCCC#CCCCBr.
What is the InChIKey of 1-bromodec-4-yne?
The InChIKey is LZKPXVBLNTWIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br/c1-2-3-4-5-6-7-8-9-10-11/h2-5,8-10H2,1H3.
What are the key properties of 1-bromodec-4-yne?
1-bromodec-4-yne has a molecular weight of 217.15 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromodec-4-yne is sourced from PubChem (CID 22621683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).