9-methyltridec-5-yne

C14H26 — CID 22224124

IUPAC9-methyltridec-5-yne
SMILESCCCCC#CCCC(C)CCCC
InChIInChI=1S/C14H26/c1-4-6-8-9-10-11-13-14(3)12-7-5-2/h14H,4-8,11-13H2,1-3H3
InChIKeyNHVOPUSHLQRBMI-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.79
Rot. Bonds7

About 9-methyltridec-5-yne

9-methyltridec-5-yne (PubChem CID 22224124) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 9-methyltridec-5-yne.

Molecular Properties

Compound Name9-methyltridec-5-yne
PubChem CID22224124
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name9-methyltridec-5-yne
SMILESCCCCC#CCCC(C)CCCC
InChIInChI=1S/C14H26/c1-4-6-8-9-10-11-13-14(3)12-7-5-2/h14H,4-8,11-13H2,1-3H3
InChIKeyNHVOPUSHLQRBMI-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'}

Analyze 9-methyltridec-5-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-methylhexadec-5-yne
CID 22223866
18,21-dimethyloctacos-12-yne
CID 22224150
12-methylpentadec-6-yne
CID 142980159
8-methyltridec-5-yne
CID 173074728
10-methylheptadec-3-yne
CID 22224077
8-methylheptadec-5-yne
CID 22224327
tetradeca-4,9-diyne
CID 173328648
4,11-dimethyltetradec-6-yne
CID 134995149
pentadeca-5,10-diyne
CID 15530767
8,11,16-trimethylpentacos-12-yne
CID 22223790
8-butyl-2-methyldodec-4-yne
CID 169321420
5,15-dimethylpentatriacontane
CID 6430641

Frequently Asked Questions

What is the IUPAC name of 9-methyltridec-5-yne?
The IUPAC name of 9-methyltridec-5-yne (CID 22224124) is 9-methyltridec-5-yne.
What is the SMILES notation for 9-methyltridec-5-yne?
The canonical SMILES for 9-methyltridec-5-yne is CCCCC#CCCC(C)CCCC.
What is the InChIKey of 9-methyltridec-5-yne?
The InChIKey is NHVOPUSHLQRBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-4-6-8-9-10-11-13-14(3)12-7-5-2/h14H,4-8,11-13H2,1-3H3.
What are the key properties of 9-methyltridec-5-yne?
9-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 9-methyltridec-5-yne is sourced from PubChem (CID 22224124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).