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

C14H26O3 — CID 103456074

IUPAC2-hydroxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
SMILESCC1(C)CC(C(=O)C(O)C(C)(C)C)C(C)(C)O1
InChIInChI=1S/C14H26O3/c1-12(2,3)11(16)10(15)9-8-13(4,5)17-14(9,6)7/h9,11,16H,8H2,1-7H3
InChIKeyBDLTYNUQFYHVQS-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.56
Rot. Bonds2

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

2-hydroxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one (PubChem CID 103456074) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-hydroxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one.

Molecular Properties

Compound Name2-hydroxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
PubChem CID103456074
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name2-hydroxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
SMILESCC1(C)CC(C(=O)C(O)C(C)(C)C)C(C)(C)O1
InChIInChI=1S/C14H26O3/c1-12(2,3)11(16)10(15)9-8-13(4,5)17-14(9,6)7/h9,11,16H,8H2,1-7H3
InChIKeyBDLTYNUQFYHVQS-UHFFFAOYSA-N
XLogP2.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
CID 103451300
2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 115813931
2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 114622560
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
2-propan-2-ylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622416
1-(2,2,5,5-tetramethyloxolan-3-yl)but-3-en-1-one
CID 114622545
2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622575
2-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)but-2-en-1-one
CID 103447272
3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol
CID 114622056
(5-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115814054
2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid
CID 79926968

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one?
The IUPAC name of 2-hydroxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one (CID 103456074) is 2-hydroxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one.
What is the SMILES notation for 2-hydroxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one?
The canonical SMILES for 2-hydroxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one is CC1(C)CC(C(=O)C(O)C(C)(C)C)C(C)(C)O1.
What is the InChIKey of 2-hydroxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one?
The InChIKey is BDLTYNUQFYHVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-12(2,3)11(16)10(15)9-8-13(4,5)17-14(9,6)7/h9,11,16H,8H2,1-7H3.
What are the key properties of 2-hydroxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one?
2-hydroxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one has a molecular weight of 242.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one is sourced from PubChem (CID 103456074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).