8-methyltridec-5-yne

C14H26 — CID 173074728

IUPAC8-methyltridec-5-yne
SMILESCCCCC#CCC(C)CCCCC
InChIInChI=1S/C14H26/c1-4-6-8-9-11-13-14(3)12-10-7-5-2/h14H,4-8,10,12-13H2,1-3H3
InChIKeyJMPNLSAJODOYAX-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.79
Rot. Bonds7

About 8-methyltridec-5-yne

8-methyltridec-5-yne (PubChem CID 173074728) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 8-methyltridec-5-yne.

Molecular Properties

Compound Name8-methyltridec-5-yne
PubChem CID173074728
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name8-methyltridec-5-yne
SMILESCCCCC#CCC(C)CCCCC
InChIInChI=1S/C14H26/c1-4-6-8-9-11-13-14(3)12-10-7-5-2/h14H,4-8,10,12-13H2,1-3H3
InChIKeyJMPNLSAJODOYAX-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

8-methylheptadec-5-yne
CID 22224327
9-methylhexadec-5-yne
CID 22223866
4,11-dimethyltetradec-6-yne
CID 134995149
5-methyldec-2-yne
CID 123137081
18,21-dimethyloctacos-12-yne
CID 22224150
12-methylpentadec-6-yne
CID 142980159
9-methyltridec-5-yne
CID 22224124
10-methylheptadec-3-yne
CID 22224077
4-methylnon-1-yne
CID 20743131
11-propylicos-5-yne
CID 22224119
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274

Frequently Asked Questions

What is the IUPAC name of 8-methyltridec-5-yne?
The IUPAC name of 8-methyltridec-5-yne (CID 173074728) is 8-methyltridec-5-yne.
What is the SMILES notation for 8-methyltridec-5-yne?
The canonical SMILES for 8-methyltridec-5-yne is CCCCC#CCC(C)CCCCC.
What is the InChIKey of 8-methyltridec-5-yne?
The InChIKey is JMPNLSAJODOYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-4-6-8-9-11-13-14(3)12-10-7-5-2/h14H,4-8,10,12-13H2,1-3H3.
What are the key properties of 8-methyltridec-5-yne?
8-methyltridec-5-yne has a molecular weight of 194.36 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyltridec-5-yne is sourced from PubChem (CID 173074728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).