ethyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate

C10H20O4 — CID 546244

IUPACethyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate
SMILESCCOC(=O)CC(O)COC(C)(C)C
InChIInChI=1S/C10H20O4/c1-5-13-9(12)6-8(11)7-14-10(2,3)4/h8,11H,5-7H2,1-4H3
InChIKeyPRVDZTWZVHPSJL-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.12
Rot. Bonds5

About ethyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate

ethyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate (PubChem CID 546244) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate
PubChem CID546244
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Nameethyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate
SMILESCCOC(=O)CC(O)COC(C)(C)C
InChIInChI=1S/C10H20O4/c1-5-13-9(12)6-8(11)7-14-10(2,3)4/h8,11H,5-7H2,1-4H3
InChIKeyPRVDZTWZVHPSJL-UHFFFAOYSA-N
XLogP1.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Butanedioic acid, 2-hydroxy-, 1,4-dibutyl ester
CID 95385
Diethyl malate
CID 24197
Diethyl tartrate
CID 6993580
Butanedioic acid, 2,3-dihydroxy-, diethyl ester, S-(R*,R*)-
CID 62333
Diisopropyl tartrate
CID 6453580
Dibutyl L-tartrate
CID 220014
(+)-Dibutyl tartrate
CID 6910
Diisopropyl (S-(R*,R*))-tartrate
CID 112972
Dibutyrin
CID 10177014
Diisoamyl Malate
CID 10308226
Diethyl [S-(R*,R*)]-tartrate
CID 117410
D-(+)-Malic acid diethyl ester
CID 1715086

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate?
The IUPAC name of ethyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate (CID 546244) is ethyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate is CCOC(=O)CC(O)COC(C)(C)C.
What is the InChIKey of ethyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate?
The InChIKey is PRVDZTWZVHPSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-5-13-9(12)6-8(11)7-14-10(2,3)4/h8,11H,5-7H2,1-4H3.
What are the key properties of ethyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate?
ethyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate has a molecular weight of 204.27 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoate is sourced from PubChem (CID 546244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).