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

C6H12O2 — CID 58883062

IUPAC2-(ethoxymethyl)prop-2-en-1-ol
SMILESC=C(CO)COCC
InChIInChI=1S/C6H12O2/c1-3-8-5-6(2)4-7/h7H,2-5H2,1H3
InChIKeyUJOUBSCDKRDJQH-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.57
Rot. Bonds4

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

2-(ethoxymethyl)prop-2-en-1-ol (PubChem CID 58883062) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-(ethoxymethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(ethoxymethyl)prop-2-en-1-ol
PubChem CID58883062
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-(ethoxymethyl)prop-2-en-1-ol
SMILESC=C(CO)COCC
InChIInChI=1S/C6H12O2/c1-3-8-5-6(2)4-7/h7H,2-5H2,1H3
InChIKeyUJOUBSCDKRDJQH-UHFFFAOYSA-N
XLogP0.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)prop-2-en-1-ol?
The IUPAC name of 2-(ethoxymethyl)prop-2-en-1-ol (CID 58883062) is 2-(ethoxymethyl)prop-2-en-1-ol.
What is the SMILES notation for 2-(ethoxymethyl)prop-2-en-1-ol?
The canonical SMILES for 2-(ethoxymethyl)prop-2-en-1-ol is C=C(CO)COCC.
What is the InChIKey of 2-(ethoxymethyl)prop-2-en-1-ol?
The InChIKey is UJOUBSCDKRDJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-8-5-6(2)4-7/h7H,2-5H2,1H3.
What are the key properties of 2-(ethoxymethyl)prop-2-en-1-ol?
2-(ethoxymethyl)prop-2-en-1-ol has a molecular weight of 116.16 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)prop-2-en-1-ol is sourced from PubChem (CID 58883062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).