2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one

C14H24O3 — CID 10014531

IUPAC2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one
SMILESCC(C)[C@@H]1CC[C@@H](C)[C@](O)(C2(O)CCC2=O)C1
InChIInChI=1S/C14H24O3/c1-9(2)11-5-4-10(3)14(17,8-11)13(16)7-6-12(13)15/h9-11,16-17H,4-8H2,1-3H3/t10-,11-,13?,14+/m1/s1
InChIKeyWDSGUIUNNDEJER-CFVHNTKXSA-N
MW240.34 g/mol
LogP1.90
Rot. Bonds2

About 2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one

2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one (PubChem CID 10014531) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one
PubChem CID10014531
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one
SMILESCC(C)[C@@H]1CC[C@@H](C)[C@](O)(C2(O)CCC2=O)C1
InChIInChI=1S/C14H24O3/c1-9(2)11-5-4-10(3)14(17,8-11)13(16)7-6-12(13)15/h9-11,16-17H,4-8H2,1-3H3/t10-,11-,13?,14+/m1/s1
InChIKeyWDSGUIUNNDEJER-CFVHNTKXSA-N
XLogP1.90
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one?
The IUPAC name of 2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one (CID 10014531) is 2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one.
What is the SMILES notation for 2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one?
The canonical SMILES for 2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one is CC(C)[C@@H]1CC[C@@H](C)[C@](O)(C2(O)CCC2=O)C1.
What is the InChIKey of 2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one?
The InChIKey is WDSGUIUNNDEJER-CFVHNTKXSA-N. The full InChI is InChI=1S/C14H24O3/c1-9(2)11-5-4-10(3)14(17,8-11)13(16)7-6-12(13)15/h9-11,16-17H,4-8H2,1-3H3/t10-,11-,13?,14+/m1/s1.
What are the key properties of 2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one?
2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one has a molecular weight of 240.34 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one is sourced from PubChem (CID 10014531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).