2-(2-ethenoxypropan-2-yloxy)ethyl acetate

C9H16O4 — CID 139969474

IUPAC2-(2-ethenoxypropan-2-yloxy)ethyl acetate
SMILESC=COC(C)(C)OCCOC(C)=O
InChIInChI=1S/C9H16O4/c1-5-12-9(3,4)13-7-6-11-8(2)10/h5H,1,6-7H2,2-4H3
InChIKeyYIDSPUIQGCUERR-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.46
Rot. Bonds6

About 2-(2-ethenoxypropan-2-yloxy)ethyl acetate

2-(2-ethenoxypropan-2-yloxy)ethyl acetate (PubChem CID 139969474) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-(2-ethenoxypropan-2-yloxy)ethyl acetate.

Molecular Properties

Compound Name2-(2-ethenoxypropan-2-yloxy)ethyl acetate
PubChem CID139969474
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-(2-ethenoxypropan-2-yloxy)ethyl acetate
SMILESC=COC(C)(C)OCCOC(C)=O
InChIInChI=1S/C9H16O4/c1-5-12-9(3,4)13-7-6-11-8(2)10/h5H,1,6-7H2,2-4H3
InChIKeyYIDSPUIQGCUERR-UHFFFAOYSA-N
XLogP1.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-ethenoxypropan-2-yloxy)ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetyloxyethyl acetate;buta-1,3-diene
CID 87510767
2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate
CID 525183
2-(2-prop-2-enoxyethoxy)ethyl acetate
CID 525147
acetic acid;2-acetyloxyethyl acetate;azane
CID 18969564
bis(2-acetyloxyethyl acetate);amino acetate
CID 87902922
[2-(acetyloxymethyl)-2-hydroxybut-3-enyl] acetate
CID 59238442
2-acetyloxyethyl acetate;silyl acetate
CID 173024816
CID 158105337
CID 158105337
2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)
CID 11257663
ethenoxymethyl acetate
CID 54090433
hex-5-enyl acetate
CID 537536
2-[(2S)-2-hydroxybut-3-en-2-yl]oxyethyl 3-oxobutanoate
CID 97049833

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxypropan-2-yloxy)ethyl acetate?
The IUPAC name of 2-(2-ethenoxypropan-2-yloxy)ethyl acetate (CID 139969474) is 2-(2-ethenoxypropan-2-yloxy)ethyl acetate.
What is the SMILES notation for 2-(2-ethenoxypropan-2-yloxy)ethyl acetate?
The canonical SMILES for 2-(2-ethenoxypropan-2-yloxy)ethyl acetate is C=COC(C)(C)OCCOC(C)=O.
What is the InChIKey of 2-(2-ethenoxypropan-2-yloxy)ethyl acetate?
The InChIKey is YIDSPUIQGCUERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-5-12-9(3,4)13-7-6-11-8(2)10/h5H,1,6-7H2,2-4H3.
What are the key properties of 2-(2-ethenoxypropan-2-yloxy)ethyl acetate?
2-(2-ethenoxypropan-2-yloxy)ethyl acetate has a molecular weight of 188.22 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxypropan-2-yloxy)ethyl acetate is sourced from PubChem (CID 139969474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).