ethyl 4-(1,3-dioxolan-2-yl)-2-hydroxy-4-methylpentanoate

C11H20O5 — CID 57435339

IUPACethyl 4-(1,3-dioxolan-2-yl)-2-hydroxy-4-methylpentanoate
SMILESCCOC(=O)C(O)CC(C)(C)C1OCCO1
InChIInChI=1S/C11H20O5/c1-4-14-9(13)8(12)7-11(2,3)10-15-5-6-16-10/h8,10,12H,4-7H2,1-3H3
InChIKeyWHBCZVPFAVNLNX-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.70
Rot. Bonds5

About ethyl 4-(1,3-dioxolan-2-yl)-2-hydroxy-4-methylpentanoate

ethyl 4-(1,3-dioxolan-2-yl)-2-hydroxy-4-methylpentanoate (PubChem CID 57435339) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 4-(1,3-dioxolan-2-yl)-2-hydroxy-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 4-(1,3-dioxolan-2-yl)-2-hydroxy-4-methylpentanoate
PubChem CID57435339
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Nameethyl 4-(1,3-dioxolan-2-yl)-2-hydroxy-4-methylpentanoate
SMILESCCOC(=O)C(O)CC(C)(C)C1OCCO1
InChIInChI=1S/C11H20O5/c1-4-14-9(13)8(12)7-11(2,3)10-15-5-6-16-10/h8,10,12H,4-7H2,1-3H3
InChIKeyWHBCZVPFAVNLNX-UHFFFAOYSA-N
XLogP0.70
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1,3-dioxolan-2-yl)-2-hydroxy-4-methylpentanoate?
The IUPAC name of ethyl 4-(1,3-dioxolan-2-yl)-2-hydroxy-4-methylpentanoate (CID 57435339) is ethyl 4-(1,3-dioxolan-2-yl)-2-hydroxy-4-methylpentanoate.
What is the SMILES notation for ethyl 4-(1,3-dioxolan-2-yl)-2-hydroxy-4-methylpentanoate?
The canonical SMILES for ethyl 4-(1,3-dioxolan-2-yl)-2-hydroxy-4-methylpentanoate is CCOC(=O)C(O)CC(C)(C)C1OCCO1.
What is the InChIKey of ethyl 4-(1,3-dioxolan-2-yl)-2-hydroxy-4-methylpentanoate?
The InChIKey is WHBCZVPFAVNLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-4-14-9(13)8(12)7-11(2,3)10-15-5-6-16-10/h8,10,12H,4-7H2,1-3H3.
What are the key properties of ethyl 4-(1,3-dioxolan-2-yl)-2-hydroxy-4-methylpentanoate?
ethyl 4-(1,3-dioxolan-2-yl)-2-hydroxy-4-methylpentanoate has a molecular weight of 232.28 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1,3-dioxolan-2-yl)-2-hydroxy-4-methylpentanoate is sourced from PubChem (CID 57435339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).