1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate

C13H28O5 — CID 87696301

IUPAC1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate
SMILESCCOCC(C)O.CCOCC(C)OC(=O)CC
InChIInChI=1S/C8H16O3.C5H12O2/c1-4-8(9)11-7(3)6-10-5-2;1-3-7-4-5(2)6/h7H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyFOVQXEJGKVWHFA-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.77
Rot. Bonds8

About 1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate

1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate (PubChem CID 87696301) has the molecular formula C13H28O5 and a molecular weight of 264.36 g/mol. Its IUPAC name is 1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate.

Molecular Properties

Compound Name1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate
PubChem CID87696301
Molecular FormulaC13H28O5
Molecular Weight264.36 g/mol
Exact Mass264.19
IUPAC Name1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate
SMILESCCOCC(C)O.CCOCC(C)OC(=O)CC
InChIInChI=1S/C8H16O3.C5H12O2/c1-4-8(9)11-7(3)6-10-5-2;1-3-7-4-5(2)6/h7H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyFOVQXEJGKVWHFA-UHFFFAOYSA-N
XLogP1.77
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate 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

1-ethoxypropan-2-yl 2-(methylamino)acetate
CID 103489136
[(2S)-1-ethoxypropan-2-yl] carbonochloridate
CID 124681021
1-ethoxypropan-2-ol;N-methylmethanamine
CID 88607316
1-ethoxypropan-2-yl 5-aminopentanoate
CID 103489040
1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate
CID 87696230
1-ethoxypropan-2-yl 3-(aminomethyl)pentanoate
CID 103488952
1-ethoxypropan-2-yl 5-amino-4-methylpentanoate
CID 103488924
1-ethoxypropan-2-yl 2-(cyclopropylamino)acetate
CID 103488994
1-ethoxypropan-2-yl 2-(2,2,2-trifluoroethylamino)acetate
CID 103489051
1-ethoxypropan-2-yl 2-(2-methoxyethylamino)acetate
CID 103488949
1-ethoxypropan-2-yl 2-(cyclopentylamino)acetate
CID 103489239
1-(1-tetradecoxypropan-2-yloxy)propan-2-yl propanoate
CID 121494098

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate?
The IUPAC name of 1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate (CID 87696301) is 1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate.
What is the SMILES notation for 1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate?
The canonical SMILES for 1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate is CCOCC(C)O.CCOCC(C)OC(=O)CC.
What is the InChIKey of 1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate?
The InChIKey is FOVQXEJGKVWHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3.C5H12O2/c1-4-8(9)11-7(3)6-10-5-2;1-3-7-4-5(2)6/h7H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3.
What are the key properties of 1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate?
1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate has a molecular weight of 264.36 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate is sourced from PubChem (CID 87696301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).