3-(2-methylprop-1-enoxy)prop-2-en-1-ol

C7H12O2 — CID 57216117

IUPAC3-(2-methylprop-1-enoxy)prop-2-en-1-ol
SMILESCC(C)=COC=CCO
InChIInChI=1S/C7H12O2/c1-7(2)6-9-5-3-4-8/h3,5-6,8H,4H2,1-2H3
InChIKeySLBLRCAIUHSTBP-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.43
Rot. Bonds3

About 3-(2-methylprop-1-enoxy)prop-2-en-1-ol

3-(2-methylprop-1-enoxy)prop-2-en-1-ol (PubChem CID 57216117) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-(2-methylprop-1-enoxy)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(2-methylprop-1-enoxy)prop-2-en-1-ol
PubChem CID57216117
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-(2-methylprop-1-enoxy)prop-2-en-1-ol
SMILESCC(C)=COC=CCO
InChIInChI=1S/C7H12O2/c1-7(2)6-9-5-3-4-8/h3,5-6,8H,4H2,1-2H3
InChIKeySLBLRCAIUHSTBP-UHFFFAOYSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-1-enoxy)prop-2-en-1-ol?
The IUPAC name of 3-(2-methylprop-1-enoxy)prop-2-en-1-ol (CID 57216117) is 3-(2-methylprop-1-enoxy)prop-2-en-1-ol.
What is the SMILES notation for 3-(2-methylprop-1-enoxy)prop-2-en-1-ol?
The canonical SMILES for 3-(2-methylprop-1-enoxy)prop-2-en-1-ol is CC(C)=COC=CCO.
What is the InChIKey of 3-(2-methylprop-1-enoxy)prop-2-en-1-ol?
The InChIKey is SLBLRCAIUHSTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-7(2)6-9-5-3-4-8/h3,5-6,8H,4H2,1-2H3.
What are the key properties of 3-(2-methylprop-1-enoxy)prop-2-en-1-ol?
3-(2-methylprop-1-enoxy)prop-2-en-1-ol has a molecular weight of 128.17 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-1-enoxy)prop-2-en-1-ol is sourced from PubChem (CID 57216117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).