2-ethoxypropan-2-yl acetate

C7H14O3 — CID 19889183

IUPAC2-ethoxypropan-2-yl acetate
SMILESCCOC(C)(C)OC(C)=O
InChIInChI=1S/C7H14O3/c1-5-9-7(3,4)10-6(2)8/h5H2,1-4H3
InChIKeyZHFCYDPONPCVOH-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.32
Rot. Bonds3

About 2-ethoxypropan-2-yl acetate

2-ethoxypropan-2-yl acetate (PubChem CID 19889183) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-ethoxypropan-2-yl acetate.

Molecular Properties

Compound Name2-ethoxypropan-2-yl acetate
PubChem CID19889183
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-ethoxypropan-2-yl acetate
SMILESCCOC(C)(C)OC(C)=O
InChIInChI=1S/C7H14O3/c1-5-9-7(3,4)10-6(2)8/h5H2,1-4H3
InChIKeyZHFCYDPONPCVOH-UHFFFAOYSA-N
XLogP1.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-ethoxypropan-2-yl) carbonate
CID 87247770
(2-ethoxy-3-methylbutan-2-yl) acetate
CID 141070948
2-(2-acetyloxypropan-2-yloxy)propan-2-yl acetate
CID 142775471
4-methylheptan-4-yl acetate
CID 58165665
acetic acid;1,1,1-triethoxyethane
CID 90101940
2-(2-ethoxypropan-2-yloxy)acetic acid
CID 89112124
(1-chloro-2-methylbutan-2-yl) acetate
CID 23269035
diethyl 2-acetyloxy-2-methylpropanedioate
CID 14271792
4-(2-ethoxypropan-2-yloxy)-4-methylpentan-2-one;ethyl acetate
CID 91125744
tert-butyl acetate
CID 159704758
2-ethoxy-2-(2-ethoxypropan-2-yloxy)propane
CID 87328218
1,1-bis(ethoxysilyl)ethyl acetate
CID 175177816

Frequently Asked Questions

What is the IUPAC name of 2-ethoxypropan-2-yl acetate?
The IUPAC name of 2-ethoxypropan-2-yl acetate (CID 19889183) is 2-ethoxypropan-2-yl acetate.
What is the SMILES notation for 2-ethoxypropan-2-yl acetate?
The canonical SMILES for 2-ethoxypropan-2-yl acetate is CCOC(C)(C)OC(C)=O.
What is the InChIKey of 2-ethoxypropan-2-yl acetate?
The InChIKey is ZHFCYDPONPCVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-5-9-7(3,4)10-6(2)8/h5H2,1-4H3.
What are the key properties of 2-ethoxypropan-2-yl acetate?
2-ethoxypropan-2-yl acetate has a molecular weight of 146.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypropan-2-yl acetate is sourced from PubChem (CID 19889183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).