1-(1-propoxyethoxy)ethyl formate

C8H16O4 — CID 23021487

IUPAC1-(1-propoxyethoxy)ethyl formate
SMILESCCCOC(C)OC(C)OC=O
InChIInChI=1S/C8H16O4/c1-4-5-10-7(2)12-8(3)11-6-9/h6-8H,4-5H2,1-3H3
InChIKeyKZTBWGOXYYSHQB-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.29
Rot. Bonds7

About 1-(1-propoxyethoxy)ethyl formate

1-(1-propoxyethoxy)ethyl formate (PubChem CID 23021487) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-(1-propoxyethoxy)ethyl formate.

Molecular Properties

Compound Name1-(1-propoxyethoxy)ethyl formate
PubChem CID23021487
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name1-(1-propoxyethoxy)ethyl formate
SMILESCCCOC(C)OC(C)OC=O
InChIInChI=1S/C8H16O4/c1-4-5-10-7(2)12-8(3)11-6-9/h6-8H,4-5H2,1-3H3
InChIKeyKZTBWGOXYYSHQB-UHFFFAOYSA-N
XLogP1.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 1-(1-propoxyethoxy)ethyl formate?
The IUPAC name of 1-(1-propoxyethoxy)ethyl formate (CID 23021487) is 1-(1-propoxyethoxy)ethyl formate.
What is the SMILES notation for 1-(1-propoxyethoxy)ethyl formate?
The canonical SMILES for 1-(1-propoxyethoxy)ethyl formate is CCCOC(C)OC(C)OC=O.
What is the InChIKey of 1-(1-propoxyethoxy)ethyl formate?
The InChIKey is KZTBWGOXYYSHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-4-5-10-7(2)12-8(3)11-6-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-(1-propoxyethoxy)ethyl formate?
1-(1-propoxyethoxy)ethyl formate has a molecular weight of 176.21 g/mol, XLogP of 1.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propoxyethoxy)ethyl formate is sourced from PubChem (CID 23021487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).