12-methyltridec-1-yne

C14H26 — CID 10921423

IUPAC12-methyltridec-1-yne
SMILESC#CCCCCCCCCCC(C)C
InChIInChI=1S/C14H26/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h1,14H,5-13H2,2-3H3
InChIKeyOACONLWLFYABHX-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.79
Rot. Bonds9

About 12-methyltridec-1-yne

12-methyltridec-1-yne (PubChem CID 10921423) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 12-methyltridec-1-yne.

Molecular Properties

Compound Name12-methyltridec-1-yne
PubChem CID10921423
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name12-methyltridec-1-yne
SMILESC#CCCCCCCCCCC(C)C
InChIInChI=1S/C14H26/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h1,14H,5-13H2,2-3H3
InChIKeyOACONLWLFYABHX-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
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

N-methylnon-8-yn-2-amine
CID 91435283
dodec-11-yn-2-ol
CID 14044485
non-8-yn-2-ol
CID 11275050
6,10,14-trimethylpentadec-1-yne
CID 72780458
heptatriaconta-1,36-diyne
CID 58527209
trideca-1,12-diyne
CID 13119526
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
19,19-dichlorononadec-1-yne
CID 88635184
Protein hydrolyzates, leather, reaction products with isostearoyl chloride
CID 90849558
6-methylheptanenitrile
CID 22036153
17-methyloctadec-2-yne
CID 123546762

Frequently Asked Questions

What is the IUPAC name of 12-methyltridec-1-yne?
The IUPAC name of 12-methyltridec-1-yne (CID 10921423) is 12-methyltridec-1-yne.
What is the SMILES notation for 12-methyltridec-1-yne?
The canonical SMILES for 12-methyltridec-1-yne is C#CCCCCCCCCCC(C)C.
What is the InChIKey of 12-methyltridec-1-yne?
The InChIKey is OACONLWLFYABHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h1,14H,5-13H2,2-3H3.
What are the key properties of 12-methyltridec-1-yne?
12-methyltridec-1-yne has a molecular weight of 194.36 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyltridec-1-yne is sourced from PubChem (CID 10921423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).