ethyl 2-(2-hydroxyoxolan-2-yl)-2-methylpropanoate

C10H18O4 — CID 102166125

IUPACethyl 2-(2-hydroxyoxolan-2-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)C1(O)CCCO1
InChIInChI=1S/C10H18O4/c1-4-13-8(11)9(2,3)10(12)6-5-7-14-10/h12H,4-7H2,1-3H3
InChIKeyMPFNAJVQCCLSPO-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.07
Rot. Bonds3

About ethyl 2-(2-hydroxyoxolan-2-yl)-2-methylpropanoate

ethyl 2-(2-hydroxyoxolan-2-yl)-2-methylpropanoate (PubChem CID 102166125) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 2-(2-hydroxyoxolan-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxyoxolan-2-yl)-2-methylpropanoate
PubChem CID102166125
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 2-(2-hydroxyoxolan-2-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)C1(O)CCCO1
InChIInChI=1S/C10H18O4/c1-4-13-8(11)9(2,3)10(12)6-5-7-14-10/h12H,4-7H2,1-3H3
InChIKeyMPFNAJVQCCLSPO-UHFFFAOYSA-N
XLogP1.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxyoxolan-2-yl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(2-hydroxyoxolan-2-yl)-2-methylpropanoate (CID 102166125) is ethyl 2-(2-hydroxyoxolan-2-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(2-hydroxyoxolan-2-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(2-hydroxyoxolan-2-yl)-2-methylpropanoate is CCOC(=O)C(C)(C)C1(O)CCCO1.
What is the InChIKey of ethyl 2-(2-hydroxyoxolan-2-yl)-2-methylpropanoate?
The InChIKey is MPFNAJVQCCLSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-13-8(11)9(2,3)10(12)6-5-7-14-10/h12H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(2-hydroxyoxolan-2-yl)-2-methylpropanoate?
ethyl 2-(2-hydroxyoxolan-2-yl)-2-methylpropanoate has a molecular weight of 202.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxyoxolan-2-yl)-2-methylpropanoate is sourced from PubChem (CID 102166125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).