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

C11H18O4 — CID 155678511

IUPAC(2,2-dimethyl-1,3-dioxol-4-yl)methyl pentanoate
SMILESCCCCC(=O)OCC1=COC(C)(C)O1
InChIInChI=1S/C11H18O4/c1-4-5-6-10(12)13-7-9-8-14-11(2,3)15-9/h8H,4-7H2,1-3H3
InChIKeyMOGNICFRPLHSHW-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.34
Rot. Bonds5

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

(2,2-dimethyl-1,3-dioxol-4-yl)methyl pentanoate (PubChem CID 155678511) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxol-4-yl)methyl pentanoate.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxol-4-yl)methyl pentanoate
PubChem CID155678511
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(2,2-dimethyl-1,3-dioxol-4-yl)methyl pentanoate
SMILESCCCCC(=O)OCC1=COC(C)(C)O1
InChIInChI=1S/C11H18O4/c1-4-5-6-10(12)13-7-9-8-14-11(2,3)15-9/h8H,4-7H2,1-3H3
InChIKeyMOGNICFRPLHSHW-UHFFFAOYSA-N
XLogP2.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.34
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-dioxol-4-yl)methyl pentanoate?
The IUPAC name of (2,2-dimethyl-1,3-dioxol-4-yl)methyl pentanoate (CID 155678511) is (2,2-dimethyl-1,3-dioxol-4-yl)methyl pentanoate.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxol-4-yl)methyl pentanoate?
The canonical SMILES for (2,2-dimethyl-1,3-dioxol-4-yl)methyl pentanoate is CCCCC(=O)OCC1=COC(C)(C)O1.
What is the InChIKey of (2,2-dimethyl-1,3-dioxol-4-yl)methyl pentanoate?
The InChIKey is MOGNICFRPLHSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-4-5-6-10(12)13-7-9-8-14-11(2,3)15-9/h8H,4-7H2,1-3H3.
What are the key properties of (2,2-dimethyl-1,3-dioxol-4-yl)methyl pentanoate?
(2,2-dimethyl-1,3-dioxol-4-yl)methyl pentanoate has a molecular weight of 214.26 g/mol, XLogP of 2.34, 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-dioxol-4-yl)methyl pentanoate is sourced from PubChem (CID 155678511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).