1-cyclopropyl-2-(5-methyl-1,3-dioxan-2-yl)ethanone

C10H16O3 — CID 11984071

IUPAC1-cyclopropyl-2-(5-methyl-1,3-dioxan-2-yl)ethanone
SMILESCC1COC(CC(=O)C2CC2)OC1
InChIInChI=1S/C10H16O3/c1-7-5-12-10(13-6-7)4-9(11)8-2-3-8/h7-8,10H,2-6H2,1H3
InChIKeyLCVJEWYCEGLSKU-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.36
Rot. Bonds3

About 1-cyclopropyl-2-(5-methyl-1,3-dioxan-2-yl)ethanone

1-cyclopropyl-2-(5-methyl-1,3-dioxan-2-yl)ethanone (PubChem CID 11984071) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-cyclopropyl-2-(5-methyl-1,3-dioxan-2-yl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(5-methyl-1,3-dioxan-2-yl)ethanone
PubChem CID11984071
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-cyclopropyl-2-(5-methyl-1,3-dioxan-2-yl)ethanone
SMILESCC1COC(CC(=O)C2CC2)OC1
InChIInChI=1S/C10H16O3/c1-7-5-12-10(13-6-7)4-9(11)8-2-3-8/h7-8,10H,2-6H2,1H3
InChIKeyLCVJEWYCEGLSKU-UHFFFAOYSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(5-methyl-1,3-dioxan-2-yl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(5-methyl-1,3-dioxan-2-yl)ethanone (CID 11984071) is 1-cyclopropyl-2-(5-methyl-1,3-dioxan-2-yl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(5-methyl-1,3-dioxan-2-yl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(5-methyl-1,3-dioxan-2-yl)ethanone is CC1COC(CC(=O)C2CC2)OC1.
What is the InChIKey of 1-cyclopropyl-2-(5-methyl-1,3-dioxan-2-yl)ethanone?
The InChIKey is LCVJEWYCEGLSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-7-5-12-10(13-6-7)4-9(11)8-2-3-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-2-(5-methyl-1,3-dioxan-2-yl)ethanone?
1-cyclopropyl-2-(5-methyl-1,3-dioxan-2-yl)ethanone has a molecular weight of 184.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(5-methyl-1,3-dioxan-2-yl)ethanone is sourced from PubChem (CID 11984071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).