2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one

C11H20O3 — CID 103451300

IUPAC2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
SMILESCC(O)C(=O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C11H20O3/c1-7(12)9(13)8-6-10(2,3)14-11(8,4)5/h7-8,12H,6H2,1-5H3
InChIKeyJZQRUIPTAHEQOP-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.53
Rot. Bonds2

About 2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one

2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one (PubChem CID 103451300) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
PubChem CID103451300
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
SMILESCC(O)C(=O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C11H20O3/c1-7(12)9(13)8-6-10(2,3)14-11(8,4)5/h7-8,12H,6H2,1-5H3
InChIKeyJZQRUIPTAHEQOP-UHFFFAOYSA-N
XLogP1.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 115813931
2-hydroxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 103456074
2-propan-2-ylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622416
2-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)but-2-en-1-one
CID 103447272
cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114622352
3-(ethylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 114624606
1-(2,2,5,5-tetramethyloxolan-3-yl)but-3-en-1-one
CID 114622545
2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid
CID 79926968
2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622575
2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 114622560
(5-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115814054
(2,2,5,5-tetramethyloxolan-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 115814061

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one?
The IUPAC name of 2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one (CID 103451300) is 2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one is CC(O)C(=O)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one?
The InChIKey is JZQRUIPTAHEQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-7(12)9(13)8-6-10(2,3)14-11(8,4)5/h7-8,12H,6H2,1-5H3.
What are the key properties of 2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one?
2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one has a molecular weight of 200.28 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one is sourced from PubChem (CID 103451300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).