ethyl 4-(1,3-dioxolan-2-yl)-4-methyl-2-oxopentanoate

C11H18O5 — CID 57435340

IUPACethyl 4-(1,3-dioxolan-2-yl)-4-methyl-2-oxopentanoate
SMILESCCOC(=O)C(=O)CC(C)(C)C1OCCO1
InChIInChI=1S/C11H18O5/c1-4-14-9(13)8(12)7-11(2,3)10-15-5-6-16-10/h10H,4-7H2,1-3H3
InChIKeyBOSOOTGHACGBFV-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.91
Rot. Bonds5

About ethyl 4-(1,3-dioxolan-2-yl)-4-methyl-2-oxopentanoate

ethyl 4-(1,3-dioxolan-2-yl)-4-methyl-2-oxopentanoate (PubChem CID 57435340) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl 4-(1,3-dioxolan-2-yl)-4-methyl-2-oxopentanoate.

Molecular Properties

Compound Nameethyl 4-(1,3-dioxolan-2-yl)-4-methyl-2-oxopentanoate
PubChem CID57435340
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Nameethyl 4-(1,3-dioxolan-2-yl)-4-methyl-2-oxopentanoate
SMILESCCOC(=O)C(=O)CC(C)(C)C1OCCO1
InChIInChI=1S/C11H18O5/c1-4-14-9(13)8(12)7-11(2,3)10-15-5-6-16-10/h10H,4-7H2,1-3H3
InChIKeyBOSOOTGHACGBFV-UHFFFAOYSA-N
XLogP0.91
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1,3-dioxolan-2-yl)-4-methyl-2-oxopentanoate?
The IUPAC name of ethyl 4-(1,3-dioxolan-2-yl)-4-methyl-2-oxopentanoate (CID 57435340) is ethyl 4-(1,3-dioxolan-2-yl)-4-methyl-2-oxopentanoate.
What is the SMILES notation for ethyl 4-(1,3-dioxolan-2-yl)-4-methyl-2-oxopentanoate?
The canonical SMILES for ethyl 4-(1,3-dioxolan-2-yl)-4-methyl-2-oxopentanoate is CCOC(=O)C(=O)CC(C)(C)C1OCCO1.
What is the InChIKey of ethyl 4-(1,3-dioxolan-2-yl)-4-methyl-2-oxopentanoate?
The InChIKey is BOSOOTGHACGBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-4-14-9(13)8(12)7-11(2,3)10-15-5-6-16-10/h10H,4-7H2,1-3H3.
What are the key properties of ethyl 4-(1,3-dioxolan-2-yl)-4-methyl-2-oxopentanoate?
ethyl 4-(1,3-dioxolan-2-yl)-4-methyl-2-oxopentanoate has a molecular weight of 230.26 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1,3-dioxolan-2-yl)-4-methyl-2-oxopentanoate is sourced from PubChem (CID 57435340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).