ethyl 2-[hydroxy(oxolan-2-yl)methyl]butanoate

C11H20O4 — CID 82837689

IUPACethyl 2-[hydroxy(oxolan-2-yl)methyl]butanoate
SMILESCCOC(=O)C(CC)C(O)C1CCCO1
InChIInChI=1S/C11H20O4/c1-3-8(11(13)14-4-2)10(12)9-6-5-7-15-9/h8-10,12H,3-7H2,1-2H3
InChIKeyLFZWYWUNUSFMAO-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.12
Rot. Bonds5

About ethyl 2-[hydroxy(oxolan-2-yl)methyl]butanoate

ethyl 2-[hydroxy(oxolan-2-yl)methyl]butanoate (PubChem CID 82837689) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 2-[hydroxy(oxolan-2-yl)methyl]butanoate.

Molecular Properties

Compound Nameethyl 2-[hydroxy(oxolan-2-yl)methyl]butanoate
PubChem CID82837689
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nameethyl 2-[hydroxy(oxolan-2-yl)methyl]butanoate
SMILESCCOC(=O)C(CC)C(O)C1CCCO1
InChIInChI=1S/C11H20O4/c1-3-8(11(13)14-4-2)10(12)9-6-5-7-15-9/h8-10,12H,3-7H2,1-2H3
InChIKeyLFZWYWUNUSFMAO-UHFFFAOYSA-N
XLogP1.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[hydroxy(oxolan-2-yl)methyl]butanoate?
The IUPAC name of ethyl 2-[hydroxy(oxolan-2-yl)methyl]butanoate (CID 82837689) is ethyl 2-[hydroxy(oxolan-2-yl)methyl]butanoate.
What is the SMILES notation for ethyl 2-[hydroxy(oxolan-2-yl)methyl]butanoate?
The canonical SMILES for ethyl 2-[hydroxy(oxolan-2-yl)methyl]butanoate is CCOC(=O)C(CC)C(O)C1CCCO1.
What is the InChIKey of ethyl 2-[hydroxy(oxolan-2-yl)methyl]butanoate?
The InChIKey is LFZWYWUNUSFMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-8(11(13)14-4-2)10(12)9-6-5-7-15-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[hydroxy(oxolan-2-yl)methyl]butanoate?
ethyl 2-[hydroxy(oxolan-2-yl)methyl]butanoate has a molecular weight of 216.28 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 2-[hydroxy(oxolan-2-yl)methyl]butanoate is sourced from PubChem (CID 82837689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).