2-(prop-2-enoxymethyl)prop-2-en-1-ol

C7H12O2 — CID 130130392

IUPAC2-(prop-2-enoxymethyl)prop-2-en-1-ol
SMILESC=CCOCC(=C)CO
InChIInChI=1S/C7H12O2/c1-3-4-9-6-7(2)5-8/h3,8H,1-2,4-6H2
InChIKeyPJHSPZFTRQUZNY-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.74
Rot. Bonds5

About 2-(prop-2-enoxymethyl)prop-2-en-1-ol

2-(prop-2-enoxymethyl)prop-2-en-1-ol (PubChem CID 130130392) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-(prop-2-enoxymethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(prop-2-enoxymethyl)prop-2-en-1-ol
PubChem CID130130392
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-(prop-2-enoxymethyl)prop-2-en-1-ol
SMILESC=CCOCC(=C)CO
InChIInChI=1S/C7H12O2/c1-3-4-9-6-7(2)5-8/h3,8H,1-2,4-6H2
InChIKeyPJHSPZFTRQUZNY-UHFFFAOYSA-N
XLogP0.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Propen-1-yloxy)-1-propanol
CID 165762
3-(2-Methylprop-2-enoxy)propan-1-ol
CID 11768606
2-Fluoro-3-prop-2-enoxypropan-1-ol
CID 15053839
3-{3-[(Prop-2-en-1-yl)oxy]propoxy}propan-1-ol
CID 15575774
3-Hydroxymethyl-2,5-dihydrofuran
CID 18939579
2-(Methoxymethyl)prop-2-en-1-ol
CID 21549213
Propane-1,3-diol;3-prop-2-enoxyprop-1-ene
CID 22726106
2-Methyl-3-(2-propen-1-yloxy)-1-propanol
CID 23379842
2-Methyl-4-prop-2-enoxy-3-(prop-2-enoxymethyl)but-2-en-1-ol
CID 56996649
3-Prop-2-enoxy-2-(prop-2-enoxymethyl)propan-1-ol
CID 57207125
2-(Ethoxymethyl)prop-2-en-1-ol
CID 58883062
2-(Prop-2-enoxymethyl)propane-1,3-diol
CID 87161294

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoxymethyl)prop-2-en-1-ol?
The IUPAC name of 2-(prop-2-enoxymethyl)prop-2-en-1-ol (CID 130130392) is 2-(prop-2-enoxymethyl)prop-2-en-1-ol.
What is the SMILES notation for 2-(prop-2-enoxymethyl)prop-2-en-1-ol?
The canonical SMILES for 2-(prop-2-enoxymethyl)prop-2-en-1-ol is C=CCOCC(=C)CO.
What is the InChIKey of 2-(prop-2-enoxymethyl)prop-2-en-1-ol?
The InChIKey is PJHSPZFTRQUZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-4-9-6-7(2)5-8/h3,8H,1-2,4-6H2.
What are the key properties of 2-(prop-2-enoxymethyl)prop-2-en-1-ol?
2-(prop-2-enoxymethyl)prop-2-en-1-ol has a molecular weight of 128.17 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoxymethyl)prop-2-en-1-ol is sourced from PubChem (CID 130130392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).