1-(5-methyl-2-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-7-yl)ethanone

C12H20O3 — CID 14282957

IUPAC1-(5-methyl-2-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-7-yl)ethanone
SMILESCC(=O)C1OC2(C)CCC(C(C)C)C1O2
InChIInChI=1S/C12H20O3/c1-7(2)9-5-6-12(4)14-10(8(3)13)11(9)15-12/h7,9-11H,5-6H2,1-4H3
InChIKeyKFBBVYRXMCZRSW-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.14
Rot. Bonds2

About 1-(5-methyl-2-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-7-yl)ethanone

1-(5-methyl-2-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-7-yl)ethanone (PubChem CID 14282957) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(5-methyl-2-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-7-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-2-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-7-yl)ethanone
PubChem CID14282957
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1-(5-methyl-2-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-7-yl)ethanone
SMILESCC(=O)C1OC2(C)CCC(C(C)C)C1O2
InChIInChI=1S/C12H20O3/c1-7(2)9-5-6-12(4)14-10(8(3)13)11(9)15-12/h7,9-11H,5-6H2,1-4H3
InChIKeyKFBBVYRXMCZRSW-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.14
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-6,8-dioxabicyclo[3.2.1]octan-7-yl)ethanone?
The IUPAC name of 1-(5-methyl-2-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-7-yl)ethanone (CID 14282957) is 1-(5-methyl-2-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-7-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-2-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-7-yl)ethanone?
The canonical SMILES for 1-(5-methyl-2-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-7-yl)ethanone is CC(=O)C1OC2(C)CCC(C(C)C)C1O2.
What is the InChIKey of 1-(5-methyl-2-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-7-yl)ethanone?
The InChIKey is KFBBVYRXMCZRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-7(2)9-5-6-12(4)14-10(8(3)13)11(9)15-12/h7,9-11H,5-6H2,1-4H3.
What are the key properties of 1-(5-methyl-2-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-7-yl)ethanone?
1-(5-methyl-2-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-7-yl)ethanone has a molecular weight of 212.29 g/mol, XLogP of 2.14, 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-6,8-dioxabicyclo[3.2.1]octan-7-yl)ethanone is sourced from PubChem (CID 14282957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).