2-ethoxy-1-prop-1-enoxyethanol

C7H14O3 — CID 151265021

IUPAC2-ethoxy-1-prop-1-enoxyethanol
SMILESCC=COC(O)COCC
InChIInChI=1S/C7H14O3/c1-3-5-10-7(8)6-9-4-2/h3,5,7-8H,4,6H2,1-2H3
InChIKeyNVDQXNKYXYKANO-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.89
Rot. Bonds5

About 2-ethoxy-1-prop-1-enoxyethanol

2-ethoxy-1-prop-1-enoxyethanol (PubChem CID 151265021) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-ethoxy-1-prop-1-enoxyethanol.

Molecular Properties

Compound Name2-ethoxy-1-prop-1-enoxyethanol
PubChem CID151265021
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-ethoxy-1-prop-1-enoxyethanol
SMILESCC=COC(O)COCC
InChIInChI=1S/C7H14O3/c1-3-5-10-7(8)6-9-4-2/h3,5,7-8H,4,6H2,1-2H3
InChIKeyNVDQXNKYXYKANO-UHFFFAOYSA-N
XLogP0.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-prop-1-enoxyethanol?
The IUPAC name of 2-ethoxy-1-prop-1-enoxyethanol (CID 151265021) is 2-ethoxy-1-prop-1-enoxyethanol.
What is the SMILES notation for 2-ethoxy-1-prop-1-enoxyethanol?
The canonical SMILES for 2-ethoxy-1-prop-1-enoxyethanol is CC=COC(O)COCC.
What is the InChIKey of 2-ethoxy-1-prop-1-enoxyethanol?
The InChIKey is NVDQXNKYXYKANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-3-5-10-7(8)6-9-4-2/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 2-ethoxy-1-prop-1-enoxyethanol?
2-ethoxy-1-prop-1-enoxyethanol has a molecular weight of 146.19 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-prop-1-enoxyethanol is sourced from PubChem (CID 151265021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).