1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethanone

C10H18O3 — CID 115785081

IUPAC1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)C1COC(C)C1
InChIInChI=1S/C10H18O3/c1-7(2)12-6-10(11)9-4-8(3)13-5-9/h7-9H,4-6H2,1-3H3
InChIKeyAIXFKGDASPLZBG-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.41
Rot. Bonds4

About 1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethanone

1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethanone (PubChem CID 115785081) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethanone
PubChem CID115785081
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)C1COC(C)C1
InChIInChI=1S/C10H18O3/c1-7(2)12-6-10(11)9-4-8(3)13-5-9/h7-9H,4-6H2,1-3H3
InChIKeyAIXFKGDASPLZBG-UHFFFAOYSA-N
XLogP1.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethanone (CID 115785081) is 1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)C1COC(C)C1.
What is the InChIKey of 1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethanone?
The InChIKey is AIXFKGDASPLZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(2)12-6-10(11)9-4-8(3)13-5-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethanone?
1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethanone has a molecular weight of 186.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 115785081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).