1-cyclopropyl-2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]ethanone

C11H16O4 — CID 141401252

IUPAC1-cyclopropyl-2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]ethanone
SMILESCC1(C)OC=C(COCC(=O)C2CC2)O1
InChIInChI=1S/C11H16O4/c1-11(2)14-6-9(15-11)5-13-7-10(12)8-3-4-8/h6,8H,3-5,7H2,1-2H3
InChIKeyGKCFDNJFQVYMGO-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.61
Rot. Bonds5

About 1-cyclopropyl-2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]ethanone

1-cyclopropyl-2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]ethanone (PubChem CID 141401252) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]ethanone
PubChem CID141401252
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1-cyclopropyl-2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]ethanone
SMILESCC1(C)OC=C(COCC(=O)C2CC2)O1
InChIInChI=1S/C11H16O4/c1-11(2)14-6-9(15-11)5-13-7-10(12)8-3-4-8/h6,8H,3-5,7H2,1-2H3
InChIKeyGKCFDNJFQVYMGO-UHFFFAOYSA-N
XLogP1.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]ethanone?
The IUPAC name of 1-cyclopropyl-2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]ethanone (CID 141401252) is 1-cyclopropyl-2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]ethanone is CC1(C)OC=C(COCC(=O)C2CC2)O1.
What is the InChIKey of 1-cyclopropyl-2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]ethanone?
The InChIKey is GKCFDNJFQVYMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-11(2)14-6-9(15-11)5-13-7-10(12)8-3-4-8/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]ethanone?
1-cyclopropyl-2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]ethanone has a molecular weight of 212.24 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]ethanone is sourced from PubChem (CID 141401252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).