1-(2-methylprop-2-enoxy)prop-2-en-1-ol

C7H12O2 — CID 56607724

IUPAC1-(2-methylprop-2-enoxy)prop-2-en-1-ol
SMILESC=CC(O)OCC(=C)C
InChIInChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,7-8H,1-2,5H2,3H3
InChIKeyNQWHRYOSBXSAGT-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.08
Rot. Bonds4

About 1-(2-methylprop-2-enoxy)prop-2-en-1-ol

1-(2-methylprop-2-enoxy)prop-2-en-1-ol (PubChem CID 56607724) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoxy)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(2-methylprop-2-enoxy)prop-2-en-1-ol
PubChem CID56607724
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name1-(2-methylprop-2-enoxy)prop-2-en-1-ol
SMILESC=CC(O)OCC(=C)C
InChIInChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,7-8H,1-2,5H2,3H3
InChIKeyNQWHRYOSBXSAGT-UHFFFAOYSA-N
XLogP1.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoxy)prop-2-en-1-ol?
The IUPAC name of 1-(2-methylprop-2-enoxy)prop-2-en-1-ol (CID 56607724) is 1-(2-methylprop-2-enoxy)prop-2-en-1-ol.
What is the SMILES notation for 1-(2-methylprop-2-enoxy)prop-2-en-1-ol?
The canonical SMILES for 1-(2-methylprop-2-enoxy)prop-2-en-1-ol is C=CC(O)OCC(=C)C.
What is the InChIKey of 1-(2-methylprop-2-enoxy)prop-2-en-1-ol?
The InChIKey is NQWHRYOSBXSAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,7-8H,1-2,5H2,3H3.
What are the key properties of 1-(2-methylprop-2-enoxy)prop-2-en-1-ol?
1-(2-methylprop-2-enoxy)prop-2-en-1-ol has a molecular weight of 128.17 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoxy)prop-2-en-1-ol is sourced from PubChem (CID 56607724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).