6-methoxy-2,6-dimethyloct-3-yne

C11H20O — CID 121217203

IUPAC6-methoxy-2,6-dimethyloct-3-yne
SMILESCCC(C)(CC#CC(C)C)OC
InChIInChI=1S/C11H20O/c1-6-11(4,12-5)9-7-8-10(2)3/h10H,6,9H2,1-5H3
InChIKeyARPIMHAHTRNFNU-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.85
Rot. Bonds3

About 6-methoxy-2,6-dimethyloct-3-yne

6-methoxy-2,6-dimethyloct-3-yne (PubChem CID 121217203) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 6-methoxy-2,6-dimethyloct-3-yne.

Molecular Properties

Compound Name6-methoxy-2,6-dimethyloct-3-yne
PubChem CID121217203
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name6-methoxy-2,6-dimethyloct-3-yne
SMILESCCC(C)(CC#CC(C)C)OC
InChIInChI=1S/C11H20O/c1-6-11(4,12-5)9-7-8-10(2)3/h10H,6,9H2,1-5H3
InChIKeyARPIMHAHTRNFNU-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,6-dimethyloct-3-yne?
The IUPAC name of 6-methoxy-2,6-dimethyloct-3-yne (CID 121217203) is 6-methoxy-2,6-dimethyloct-3-yne.
What is the SMILES notation for 6-methoxy-2,6-dimethyloct-3-yne?
The canonical SMILES for 6-methoxy-2,6-dimethyloct-3-yne is CCC(C)(CC#CC(C)C)OC.
What is the InChIKey of 6-methoxy-2,6-dimethyloct-3-yne?
The InChIKey is ARPIMHAHTRNFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-6-11(4,12-5)9-7-8-10(2)3/h10H,6,9H2,1-5H3.
What are the key properties of 6-methoxy-2,6-dimethyloct-3-yne?
6-methoxy-2,6-dimethyloct-3-yne has a molecular weight of 168.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,6-dimethyloct-3-yne is sourced from PubChem (CID 121217203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).