1-methoxypropan-2-yl 2-ethoxypropanoate

C9H18O4 — CID 88537715

IUPAC1-methoxypropan-2-yl 2-ethoxypropanoate
SMILESCCOC(C)C(=O)OC(C)COC
InChIInChI=1S/C9H18O4/c1-5-12-8(3)9(10)13-7(2)6-11-4/h7-8H,5-6H2,1-4H3
InChIKeyGPFCSDYEFUKVAE-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.99
Rot. Bonds6

About 1-methoxypropan-2-yl 2-ethoxypropanoate

1-methoxypropan-2-yl 2-ethoxypropanoate (PubChem CID 88537715) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 2-ethoxypropanoate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 2-ethoxypropanoate
PubChem CID88537715
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name1-methoxypropan-2-yl 2-ethoxypropanoate
SMILESCCOC(C)C(=O)OC(C)COC
InChIInChI=1S/C9H18O4/c1-5-12-8(3)9(10)13-7(2)6-11-4/h7-8H,5-6H2,1-4H3
InChIKeyGPFCSDYEFUKVAE-UHFFFAOYSA-N
XLogP0.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 2-ethoxypropanoate?
The IUPAC name of 1-methoxypropan-2-yl 2-ethoxypropanoate (CID 88537715) is 1-methoxypropan-2-yl 2-ethoxypropanoate.
What is the SMILES notation for 1-methoxypropan-2-yl 2-ethoxypropanoate?
The canonical SMILES for 1-methoxypropan-2-yl 2-ethoxypropanoate is CCOC(C)C(=O)OC(C)COC.
What is the InChIKey of 1-methoxypropan-2-yl 2-ethoxypropanoate?
The InChIKey is GPFCSDYEFUKVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-5-12-8(3)9(10)13-7(2)6-11-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-methoxypropan-2-yl 2-ethoxypropanoate?
1-methoxypropan-2-yl 2-ethoxypropanoate has a molecular weight of 190.24 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 2-ethoxypropanoate is sourced from PubChem (CID 88537715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).