1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanone

C8H14O3 — CID 13351499

IUPAC1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanone
SMILESCC(=O)C1OC(C)(C)OC1C
InChIInChI=1S/C8H14O3/c1-5(9)7-6(2)10-8(3,4)11-7/h6-7H,1-4H3
InChIKeyDECGIDYVUDWJEE-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.12
Rot. Bonds1

About 1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanone

1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanone (PubChem CID 13351499) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanone
PubChem CID13351499
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanone
SMILESCC(=O)C1OC(C)(C)OC1C
InChIInChI=1S/C8H14O3/c1-5(9)7-6(2)10-8(3,4)11-7/h6-7H,1-4H3
InChIKeyDECGIDYVUDWJEE-UHFFFAOYSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanone?
The IUPAC name of 1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanone (CID 13351499) is 1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanone.
What is the SMILES notation for 1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanone?
The canonical SMILES for 1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanone is CC(=O)C1OC(C)(C)OC1C.
What is the InChIKey of 1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanone?
The InChIKey is DECGIDYVUDWJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-5(9)7-6(2)10-8(3,4)11-7/h6-7H,1-4H3.
What are the key properties of 1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanone?
1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanone has a molecular weight of 158.20 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethanone is sourced from PubChem (CID 13351499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).