1-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)propan-2-one

C11H20O3 — CID 20771241

IUPAC1-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)propan-2-one
SMILESCCC1CC(CC(C)=O)OC(C)(C)O1
InChIInChI=1S/C11H20O3/c1-5-9-7-10(6-8(2)12)14-11(3,4)13-9/h9-10H,5-7H2,1-4H3
InChIKeyRIWKQJOIIDWOQG-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.29
Rot. Bonds3

About 1-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)propan-2-one

1-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)propan-2-one (PubChem CID 20771241) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)propan-2-one
PubChem CID20771241
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)propan-2-one
SMILESCCC1CC(CC(C)=O)OC(C)(C)O1
InChIInChI=1S/C11H20O3/c1-5-9-7-10(6-8(2)12)14-11(3,4)13-9/h9-10H,5-7H2,1-4H3
InChIKeyRIWKQJOIIDWOQG-UHFFFAOYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)propan-2-one?
The IUPAC name of 1-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)propan-2-one (CID 20771241) is 1-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)propan-2-one.
What is the SMILES notation for 1-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)propan-2-one?
The canonical SMILES for 1-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)propan-2-one is CCC1CC(CC(C)=O)OC(C)(C)O1.
What is the InChIKey of 1-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)propan-2-one?
The InChIKey is RIWKQJOIIDWOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-9-7-10(6-8(2)12)14-11(3,4)13-9/h9-10H,5-7H2,1-4H3.
What are the key properties of 1-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)propan-2-one?
1-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)propan-2-one has a molecular weight of 200.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)propan-2-one is sourced from PubChem (CID 20771241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).