1-methoxy-2-methylpent-1-en-3-yne

C7H10O — CID 71446230

IUPAC1-methoxy-2-methylpent-1-en-3-yne
SMILESCC#CC(C)=COC
InChIInChI=1S/C7H10O/c1-4-5-7(2)6-8-3/h6H,1-3H3
InChIKeyGHGIJKIIYYUSNQ-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.56
Rot. Bonds1

About 1-methoxy-2-methylpent-1-en-3-yne

1-methoxy-2-methylpent-1-en-3-yne (PubChem CID 71446230) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-methoxy-2-methylpent-1-en-3-yne.

Molecular Properties

Compound Name1-methoxy-2-methylpent-1-en-3-yne
PubChem CID71446230
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name1-methoxy-2-methylpent-1-en-3-yne
SMILESCC#CC(C)=COC
InChIInChI=1S/C7H10O/c1-4-5-7(2)6-8-3/h6H,1-3H3
InChIKeyGHGIJKIIYYUSNQ-UHFFFAOYSA-N
XLogP1.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylpent-1-en-3-yne?
The IUPAC name of 1-methoxy-2-methylpent-1-en-3-yne (CID 71446230) is 1-methoxy-2-methylpent-1-en-3-yne.
What is the SMILES notation for 1-methoxy-2-methylpent-1-en-3-yne?
The canonical SMILES for 1-methoxy-2-methylpent-1-en-3-yne is CC#CC(C)=COC.
What is the InChIKey of 1-methoxy-2-methylpent-1-en-3-yne?
The InChIKey is GHGIJKIIYYUSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-4-5-7(2)6-8-3/h6H,1-3H3.
What are the key properties of 1-methoxy-2-methylpent-1-en-3-yne?
1-methoxy-2-methylpent-1-en-3-yne has a molecular weight of 110.16 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylpent-1-en-3-yne is sourced from PubChem (CID 71446230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).