cyclopentyl 2-(2,2-dimethyl-1,3-dioxan-4-yl)acetate

C13H22O4 — CID 174718969

IUPACcyclopentyl 2-(2,2-dimethyl-1,3-dioxan-4-yl)acetate
SMILESCC1(C)OCCC(CC(=O)OC2CCCC2)O1
InChIInChI=1S/C13H22O4/c1-13(2)15-8-7-11(17-13)9-12(14)16-10-5-3-4-6-10/h10-11H,3-9H2,1-2H3
InChIKeyWOHSGQGRPFHUNG-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.40
Rot. Bonds3

About cyclopentyl 2-(2,2-dimethyl-1,3-dioxan-4-yl)acetate

cyclopentyl 2-(2,2-dimethyl-1,3-dioxan-4-yl)acetate (PubChem CID 174718969) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is cyclopentyl 2-(2,2-dimethyl-1,3-dioxan-4-yl)acetate.

Molecular Properties

Compound Namecyclopentyl 2-(2,2-dimethyl-1,3-dioxan-4-yl)acetate
PubChem CID174718969
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Namecyclopentyl 2-(2,2-dimethyl-1,3-dioxan-4-yl)acetate
SMILESCC1(C)OCCC(CC(=O)OC2CCCC2)O1
InChIInChI=1S/C13H22O4/c1-13(2)15-8-7-11(17-13)9-12(14)16-10-5-3-4-6-10/h10-11H,3-9H2,1-2H3
InChIKeyWOHSGQGRPFHUNG-UHFFFAOYSA-N
XLogP2.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-(2,2-dimethyl-1,3-dioxan-4-yl)acetate?
The IUPAC name of cyclopentyl 2-(2,2-dimethyl-1,3-dioxan-4-yl)acetate (CID 174718969) is cyclopentyl 2-(2,2-dimethyl-1,3-dioxan-4-yl)acetate.
What is the SMILES notation for cyclopentyl 2-(2,2-dimethyl-1,3-dioxan-4-yl)acetate?
The canonical SMILES for cyclopentyl 2-(2,2-dimethyl-1,3-dioxan-4-yl)acetate is CC1(C)OCCC(CC(=O)OC2CCCC2)O1.
What is the InChIKey of cyclopentyl 2-(2,2-dimethyl-1,3-dioxan-4-yl)acetate?
The InChIKey is WOHSGQGRPFHUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-13(2)15-8-7-11(17-13)9-12(14)16-10-5-3-4-6-10/h10-11H,3-9H2,1-2H3.
What are the key properties of cyclopentyl 2-(2,2-dimethyl-1,3-dioxan-4-yl)acetate?
cyclopentyl 2-(2,2-dimethyl-1,3-dioxan-4-yl)acetate has a molecular weight of 242.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-(2,2-dimethyl-1,3-dioxan-4-yl)acetate is sourced from PubChem (CID 174718969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).