1-(2-methylprop-2-enoxy)-4-prop-2-enoxybut-2-yne

C11H16O2 — CID 101408857

IUPAC1-(2-methylprop-2-enoxy)-4-prop-2-enoxybut-2-yne
SMILESC=CCOCC#CCOCC(=C)C
InChIInChI=1S/C11H16O2/c1-4-7-12-8-5-6-9-13-10-11(2)3/h4H,1-2,7-10H2,3H3
InChIKeyVCIXXYVEWCRURS-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.79
Rot. Bonds6

About 1-(2-methylprop-2-enoxy)-4-prop-2-enoxybut-2-yne

1-(2-methylprop-2-enoxy)-4-prop-2-enoxybut-2-yne (PubChem CID 101408857) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoxy)-4-prop-2-enoxybut-2-yne.

Molecular Properties

Compound Name1-(2-methylprop-2-enoxy)-4-prop-2-enoxybut-2-yne
PubChem CID101408857
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(2-methylprop-2-enoxy)-4-prop-2-enoxybut-2-yne
SMILESC=CCOCC#CCOCC(=C)C
InChIInChI=1S/C11H16O2/c1-4-7-12-8-5-6-9-13-10-11(2)3/h4H,1-2,7-10H2,3H3
InChIKeyVCIXXYVEWCRURS-UHFFFAOYSA-N
XLogP1.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoxy)-4-prop-2-enoxybut-2-yne?
The IUPAC name of 1-(2-methylprop-2-enoxy)-4-prop-2-enoxybut-2-yne (CID 101408857) is 1-(2-methylprop-2-enoxy)-4-prop-2-enoxybut-2-yne.
What is the SMILES notation for 1-(2-methylprop-2-enoxy)-4-prop-2-enoxybut-2-yne?
The canonical SMILES for 1-(2-methylprop-2-enoxy)-4-prop-2-enoxybut-2-yne is C=CCOCC#CCOCC(=C)C.
What is the InChIKey of 1-(2-methylprop-2-enoxy)-4-prop-2-enoxybut-2-yne?
The InChIKey is VCIXXYVEWCRURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-7-12-8-5-6-9-13-10-11(2)3/h4H,1-2,7-10H2,3H3.
What are the key properties of 1-(2-methylprop-2-enoxy)-4-prop-2-enoxybut-2-yne?
1-(2-methylprop-2-enoxy)-4-prop-2-enoxybut-2-yne has a molecular weight of 180.25 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoxy)-4-prop-2-enoxybut-2-yne is sourced from PubChem (CID 101408857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).