4-methoxy-2,4-dimethyldec-5-yne

C13H24O — CID 10013090

IUPAC4-methoxy-2,4-dimethyldec-5-yne
SMILESCCCCC#CC(C)(CC(C)C)OC
InChIInChI=1S/C13H24O/c1-6-7-8-9-10-13(4,14-5)11-12(2)3/h12H,6-8,11H2,1-5H3
InChIKeySPKLXUOVNHSCRZ-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.63
Rot. Bonds5

About 4-methoxy-2,4-dimethyldec-5-yne

4-methoxy-2,4-dimethyldec-5-yne (PubChem CID 10013090) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 4-methoxy-2,4-dimethyldec-5-yne.

Molecular Properties

Compound Name4-methoxy-2,4-dimethyldec-5-yne
PubChem CID10013090
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name4-methoxy-2,4-dimethyldec-5-yne
SMILESCCCCC#CC(C)(CC(C)C)OC
InChIInChI=1S/C13H24O/c1-6-7-8-9-10-13(4,14-5)11-12(2)3/h12H,6-8,11H2,1-5H3
InChIKeySPKLXUOVNHSCRZ-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,4-dimethyldec-5-yne?
The IUPAC name of 4-methoxy-2,4-dimethyldec-5-yne (CID 10013090) is 4-methoxy-2,4-dimethyldec-5-yne.
What is the SMILES notation for 4-methoxy-2,4-dimethyldec-5-yne?
The canonical SMILES for 4-methoxy-2,4-dimethyldec-5-yne is CCCCC#CC(C)(CC(C)C)OC.
What is the InChIKey of 4-methoxy-2,4-dimethyldec-5-yne?
The InChIKey is SPKLXUOVNHSCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-6-7-8-9-10-13(4,14-5)11-12(2)3/h12H,6-8,11H2,1-5H3.
What are the key properties of 4-methoxy-2,4-dimethyldec-5-yne?
4-methoxy-2,4-dimethyldec-5-yne has a molecular weight of 196.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,4-dimethyldec-5-yne is sourced from PubChem (CID 10013090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).