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

C9H16O3 — CID 89419698

IUPAC1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethanone
SMILESCCC1OC(C)(C)OC1C(C)=O
InChIInChI=1S/C9H16O3/c1-5-7-8(6(2)10)12-9(3,4)11-7/h7-8H,5H2,1-4H3
InChIKeyCUCILXBHZAZEKS-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.51
Rot. Bonds2

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

1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethanone (PubChem CID 89419698) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethanone
PubChem CID89419698
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethanone
SMILESCCC1OC(C)(C)OC1C(C)=O
InChIInChI=1S/C9H16O3/c1-5-7-8(6(2)10)12-9(3,4)11-7/h7-8H,5H2,1-4H3
InChIKeyCUCILXBHZAZEKS-UHFFFAOYSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethanone?
The IUPAC name of 1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethanone (CID 89419698) is 1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethanone.
What is the SMILES notation for 1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethanone?
The canonical SMILES for 1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethanone is CCC1OC(C)(C)OC1C(C)=O.
What is the InChIKey of 1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethanone?
The InChIKey is CUCILXBHZAZEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-5-7-8(6(2)10)12-9(3,4)11-7/h7-8H,5H2,1-4H3.
What are the key properties of 1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethanone?
1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethanone has a molecular weight of 172.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethanone is sourced from PubChem (CID 89419698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).