4-propyl-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one

C13H22O4 — CID 71165805

IUPAC4-propyl-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one
SMILESCCCC1CC(=O)OC1C1OC(C)(C)OC1C
InChIInChI=1S/C13H22O4/c1-5-6-9-7-10(14)15-12(9)11-8(2)16-13(3,4)17-11/h8-9,11-12H,5-7H2,1-4H3
InChIKeyDNZXVJDKDOZFFY-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.26
Rot. Bonds3

About 4-propyl-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one

4-propyl-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one (PubChem CID 71165805) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 4-propyl-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one.

Molecular Properties

Compound Name4-propyl-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one
PubChem CID71165805
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name4-propyl-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one
SMILESCCCC1CC(=O)OC1C1OC(C)(C)OC1C
InChIInChI=1S/C13H22O4/c1-5-6-9-7-10(14)15-12(9)11-8(2)16-13(3,4)17-11/h8-9,11-12H,5-7H2,1-4H3
InChIKeyDNZXVJDKDOZFFY-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one?
The IUPAC name of 4-propyl-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one (CID 71165805) is 4-propyl-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one.
What is the SMILES notation for 4-propyl-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one?
The canonical SMILES for 4-propyl-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one is CCCC1CC(=O)OC1C1OC(C)(C)OC1C.
What is the InChIKey of 4-propyl-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one?
The InChIKey is DNZXVJDKDOZFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-5-6-9-7-10(14)15-12(9)11-8(2)16-13(3,4)17-11/h8-9,11-12H,5-7H2,1-4H3.
What are the key properties of 4-propyl-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one?
4-propyl-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one has a molecular weight of 242.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one is sourced from PubChem (CID 71165805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).