5-methyldec-2-yne

C11H20 — CID 123137081

IUPAC5-methyldec-2-yne
SMILESCC#CCC(C)CCCCC
InChIInChI=1S/C11H20/c1-4-6-8-10-11(3)9-7-5-2/h11H,4,6,8-10H2,1-3H3
InChIKeyQWKZLEKXOAMZMS-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.62
Rot. Bonds5

About 5-methyldec-2-yne

5-methyldec-2-yne (PubChem CID 123137081) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 5-methyldec-2-yne.

Molecular Properties

Compound Name5-methyldec-2-yne
PubChem CID123137081
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name5-methyldec-2-yne
SMILESCC#CCC(C)CCCCC
InChIInChI=1S/C11H20/c1-4-6-8-10-11(3)9-7-5-2/h11H,4,6,8-10H2,1-3H3
InChIKeyQWKZLEKXOAMZMS-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.62
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-methyltridec-5-yne
CID 173074728
8-methylheptadec-5-yne
CID 22224327
5-propyldec-2-yne
CID 173381236
4-methylnon-1-yne
CID 20743131
N-methyldec-2-yn-5-amine
CID 115819919
15-methylhexatriacontane
CID 86002594
(9R)-9-methylicosane
CID 170848391
7,17-dimethylpentacosane
CID 56936202
6-methyloctacosane
CID 22223942
6-methylheptacosane
CID 22223776
10,16-dimethyldotriacontane
CID 91748795
27-methyltripentacontane
CID 91450521

Frequently Asked Questions

What is the IUPAC name of 5-methyldec-2-yne?
The IUPAC name of 5-methyldec-2-yne (CID 123137081) is 5-methyldec-2-yne.
What is the SMILES notation for 5-methyldec-2-yne?
The canonical SMILES for 5-methyldec-2-yne is CC#CCC(C)CCCCC.
What is the InChIKey of 5-methyldec-2-yne?
The InChIKey is QWKZLEKXOAMZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-4-6-8-10-11(3)9-7-5-2/h11H,4,6,8-10H2,1-3H3.
What are the key properties of 5-methyldec-2-yne?
5-methyldec-2-yne has a molecular weight of 152.28 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyldec-2-yne is sourced from PubChem (CID 123137081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).