(2,2-dimethyl-1,3-dioxolan-4-yl)methyl pentanoate

C11H20O4 — CID 14241356

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)methyl pentanoate
SMILESCCCCC(=O)OCC1COC(C)(C)O1
InChIInChI=1S/C11H20O4/c1-4-5-6-10(12)13-7-9-8-14-11(2,3)15-9/h9H,4-8H2,1-3H3
InChIKeyISFHESIXABVYJU-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.87
Rot. Bonds5

About (2,2-dimethyl-1,3-dioxolan-4-yl)methyl pentanoate

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl pentanoate (PubChem CID 14241356) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl pentanoate.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl pentanoate
PubChem CID14241356
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl pentanoate
SMILESCCCCC(=O)OCC1COC(C)(C)O1
InChIInChI=1S/C11H20O4/c1-4-5-6-10(12)13-7-9-8-14-11(2,3)15-9/h9H,4-8H2,1-3H3
InChIKeyISFHESIXABVYJU-UHFFFAOYSA-N
XLogP1.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl pentanoate?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl pentanoate (CID 14241356) is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl pentanoate.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl pentanoate?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl pentanoate is CCCCC(=O)OCC1COC(C)(C)O1.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl pentanoate?
The InChIKey is ISFHESIXABVYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-5-6-10(12)13-7-9-8-14-11(2,3)15-9/h9H,4-8H2,1-3H3.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl pentanoate?
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl pentanoate has a molecular weight of 216.28 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl pentanoate is sourced from PubChem (CID 14241356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).