1-(5,5-dimethyl-4-propan-2-yl-1,3-dioxan-2-yl)ethanone

C11H20O3 — CID 56620797

IUPAC1-(5,5-dimethyl-4-propan-2-yl-1,3-dioxan-2-yl)ethanone
SMILESCC(=O)C1OCC(C)(C)C(C(C)C)O1
InChIInChI=1S/C11H20O3/c1-7(2)9-11(4,5)6-13-10(14-9)8(3)12/h7,9-10H,6H2,1-5H3
InChIKeyMJBLBGCUTIKTJT-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.00
Rot. Bonds2

About 1-(5,5-dimethyl-4-propan-2-yl-1,3-dioxan-2-yl)ethanone

1-(5,5-dimethyl-4-propan-2-yl-1,3-dioxan-2-yl)ethanone (PubChem CID 56620797) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(5,5-dimethyl-4-propan-2-yl-1,3-dioxan-2-yl)ethanone.

Molecular Properties

Compound Name1-(5,5-dimethyl-4-propan-2-yl-1,3-dioxan-2-yl)ethanone
PubChem CID56620797
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1-(5,5-dimethyl-4-propan-2-yl-1,3-dioxan-2-yl)ethanone
SMILESCC(=O)C1OCC(C)(C)C(C(C)C)O1
InChIInChI=1S/C11H20O3/c1-7(2)9-11(4,5)6-13-10(14-9)8(3)12/h7,9-10H,6H2,1-5H3
InChIKeyMJBLBGCUTIKTJT-UHFFFAOYSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-4-propan-2-yl-1,3-dioxan-2-yl)ethanone?
The IUPAC name of 1-(5,5-dimethyl-4-propan-2-yl-1,3-dioxan-2-yl)ethanone (CID 56620797) is 1-(5,5-dimethyl-4-propan-2-yl-1,3-dioxan-2-yl)ethanone.
What is the SMILES notation for 1-(5,5-dimethyl-4-propan-2-yl-1,3-dioxan-2-yl)ethanone?
The canonical SMILES for 1-(5,5-dimethyl-4-propan-2-yl-1,3-dioxan-2-yl)ethanone is CC(=O)C1OCC(C)(C)C(C(C)C)O1.
What is the InChIKey of 1-(5,5-dimethyl-4-propan-2-yl-1,3-dioxan-2-yl)ethanone?
The InChIKey is MJBLBGCUTIKTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-7(2)9-11(4,5)6-13-10(14-9)8(3)12/h7,9-10H,6H2,1-5H3.
What are the key properties of 1-(5,5-dimethyl-4-propan-2-yl-1,3-dioxan-2-yl)ethanone?
1-(5,5-dimethyl-4-propan-2-yl-1,3-dioxan-2-yl)ethanone has a molecular weight of 200.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-4-propan-2-yl-1,3-dioxan-2-yl)ethanone is sourced from PubChem (CID 56620797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).