methyl 5-(1,3-dioxolan-2-yl)-2-oxopentanoate

C9H14O5 — CID 18401085

IUPACmethyl 5-(1,3-dioxolan-2-yl)-2-oxopentanoate
SMILESCOC(=O)C(=O)CCCC1OCCO1
InChIInChI=1S/C9H14O5/c1-12-9(11)7(10)3-2-4-8-13-5-6-14-8/h8H,2-6H2,1H3
InChIKeyYOEXOVHVGOCLTI-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.27
Rot. Bonds5

About methyl 5-(1,3-dioxolan-2-yl)-2-oxopentanoate

methyl 5-(1,3-dioxolan-2-yl)-2-oxopentanoate (PubChem CID 18401085) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 5-(1,3-dioxolan-2-yl)-2-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(1,3-dioxolan-2-yl)-2-oxopentanoate
PubChem CID18401085
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Namemethyl 5-(1,3-dioxolan-2-yl)-2-oxopentanoate
SMILESCOC(=O)C(=O)CCCC1OCCO1
InChIInChI=1S/C9H14O5/c1-12-9(11)7(10)3-2-4-8-13-5-6-14-8/h8H,2-6H2,1H3
InChIKeyYOEXOVHVGOCLTI-UHFFFAOYSA-N
XLogP0.27
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.27
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 methyl 5-(1,3-dioxolan-2-yl)-2-oxopentanoate?
The IUPAC name of methyl 5-(1,3-dioxolan-2-yl)-2-oxopentanoate (CID 18401085) is methyl 5-(1,3-dioxolan-2-yl)-2-oxopentanoate.
What is the SMILES notation for methyl 5-(1,3-dioxolan-2-yl)-2-oxopentanoate?
The canonical SMILES for methyl 5-(1,3-dioxolan-2-yl)-2-oxopentanoate is COC(=O)C(=O)CCCC1OCCO1.
What is the InChIKey of methyl 5-(1,3-dioxolan-2-yl)-2-oxopentanoate?
The InChIKey is YOEXOVHVGOCLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c1-12-9(11)7(10)3-2-4-8-13-5-6-14-8/h8H,2-6H2,1H3.
What are the key properties of methyl 5-(1,3-dioxolan-2-yl)-2-oxopentanoate?
methyl 5-(1,3-dioxolan-2-yl)-2-oxopentanoate has a molecular weight of 202.21 g/mol, XLogP of 0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1,3-dioxolan-2-yl)-2-oxopentanoate is sourced from PubChem (CID 18401085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).