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

C10H18O3 — CID 13494912

IUPAC1-(5-methyl-2-propan-2-yl-1,3-dioxan-5-yl)ethanone
SMILESCC(=O)C1(C)COC(C(C)C)OC1
InChIInChI=1S/C10H18O3/c1-7(2)9-12-5-10(4,6-13-9)8(3)11/h7,9H,5-6H2,1-4H3
InChIKeyMZMQYAOKLNRNHV-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.61
Rot. Bonds2

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

1-(5-methyl-2-propan-2-yl-1,3-dioxan-5-yl)ethanone (PubChem CID 13494912) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(5-methyl-2-propan-2-yl-1,3-dioxan-5-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-2-propan-2-yl-1,3-dioxan-5-yl)ethanone
PubChem CID13494912
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-(5-methyl-2-propan-2-yl-1,3-dioxan-5-yl)ethanone
SMILESCC(=O)C1(C)COC(C(C)C)OC1
InChIInChI=1S/C10H18O3/c1-7(2)9-12-5-10(4,6-13-9)8(3)11/h7,9H,5-6H2,1-4H3
InChIKeyMZMQYAOKLNRNHV-UHFFFAOYSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-propan-2-yl-1,3-dioxan-5-yl)ethanone?
The IUPAC name of 1-(5-methyl-2-propan-2-yl-1,3-dioxan-5-yl)ethanone (CID 13494912) is 1-(5-methyl-2-propan-2-yl-1,3-dioxan-5-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-2-propan-2-yl-1,3-dioxan-5-yl)ethanone?
The canonical SMILES for 1-(5-methyl-2-propan-2-yl-1,3-dioxan-5-yl)ethanone is CC(=O)C1(C)COC(C(C)C)OC1.
What is the InChIKey of 1-(5-methyl-2-propan-2-yl-1,3-dioxan-5-yl)ethanone?
The InChIKey is MZMQYAOKLNRNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(2)9-12-5-10(4,6-13-9)8(3)11/h7,9H,5-6H2,1-4H3.
What are the key properties of 1-(5-methyl-2-propan-2-yl-1,3-dioxan-5-yl)ethanone?
1-(5-methyl-2-propan-2-yl-1,3-dioxan-5-yl)ethanone has a molecular weight of 186.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-propan-2-yl-1,3-dioxan-5-yl)ethanone is sourced from PubChem (CID 13494912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).