[5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] acetate

C11H18O5 — CID 10537412

IUPAC[5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] acetate
SMILESCC(=O)OCC(=O)CCCC1(C)OCCO1
InChIInChI=1S/C11H18O5/c1-9(12)14-8-10(13)4-3-5-11(2)15-6-7-16-11/h3-8H2,1-2H3
InChIKeyXZNJZXLASYLWSN-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.05
Rot. Bonds6

About [5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] acetate

[5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] acetate (PubChem CID 10537412) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is [5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] acetate.

Molecular Properties

Compound Name[5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] acetate
PubChem CID10537412
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name[5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] acetate
SMILESCC(=O)OCC(=O)CCCC1(C)OCCO1
InChIInChI=1S/C11H18O5/c1-9(12)14-8-10(13)4-3-5-11(2)15-6-7-16-11/h3-8H2,1-2H3
InChIKeyXZNJZXLASYLWSN-UHFFFAOYSA-N
XLogP1.05
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] acetate?
The IUPAC name of [5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] acetate (CID 10537412) is [5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] acetate.
What is the SMILES notation for [5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] acetate?
The canonical SMILES for [5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] acetate is CC(=O)OCC(=O)CCCC1(C)OCCO1.
What is the InChIKey of [5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] acetate?
The InChIKey is XZNJZXLASYLWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-9(12)14-8-10(13)4-3-5-11(2)15-6-7-16-11/h3-8H2,1-2H3.
What are the key properties of [5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] acetate?
[5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] acetate has a molecular weight of 230.26 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentyl] acetate is sourced from PubChem (CID 10537412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).