1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate

C9H20O5 — CID 87696230

IUPAC1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate
SMILESCCOCC(C)O.COC(=O)C(C)O
InChIInChI=1S/C5H12O2.C4H8O3/c1-3-7-4-5(2)6;1-3(5)4(6)7-2/h5-6H,3-4H2,1-2H3;3,5H,1-2H3
InChIKeyXNHKEGVFTLZDLH-UHFFFAOYSA-N
MW208.25 g/mol
LogP-0.06
Rot. Bonds4

About 1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate

1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate (PubChem CID 87696230) has the molecular formula C9H20O5 and a molecular weight of 208.25 g/mol. Its IUPAC name is 1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate.

Molecular Properties

Compound Name1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate
PubChem CID87696230
Molecular FormulaC9H20O5
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate
SMILESCCOCC(C)O.COC(=O)C(C)O
InChIInChI=1S/C5H12O2.C4H8O3/c1-3-7-4-5(2)6;1-3(5)4(6)7-2/h5-6H,3-4H2,1-2H3;3,5H,1-2H3
InChIKeyXNHKEGVFTLZDLH-UHFFFAOYSA-N
XLogP-0.06
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethoxypropan-2-ol;N-methylmethanamine
CID 88607316
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methanol;methyl 2-hydroxypropanoate
CID 157321309
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
methyl 3-ethoxy-2-methoxypropanoate
CID 141379687
ethoxymethyl 2-hydroxypropanoate
CID 87466299
1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate
CID 87696301
1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate
CID 155641970
methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate
CID 159507124
dimethyl 3-(ethoxymethyl)pentanedioate
CID 141473703
butan-1-ol;1-ethoxypropan-2-ol
CID 158715656

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate?
The IUPAC name of 1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate (CID 87696230) is 1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate.
What is the SMILES notation for 1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate?
The canonical SMILES for 1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate is CCOCC(C)O.COC(=O)C(C)O.
What is the InChIKey of 1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate?
The InChIKey is XNHKEGVFTLZDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.C4H8O3/c1-3-7-4-5(2)6;1-3(5)4(6)7-2/h5-6H,3-4H2,1-2H3;3,5H,1-2H3.
What are the key properties of 1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate?
1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate has a molecular weight of 208.25 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate is sourced from PubChem (CID 87696230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).