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

C14H24O3 — CID 10966635

IUPAC(5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@H]1CCC(=O)O1
InChIInChI=1S/C14H24O3/c1-9(2)11-5-4-10(3)8-12(11)16-14-7-6-13(15)17-14/h9-12,14H,4-8H2,1-3H3/t10-,11+,12-,14-/m1/s1
InChIKeyQUYCDLXSEYUZAO-GFQSEFKGSA-N
MW240.34 g/mol
LogP3.13
Rot. Bonds3

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

(5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one (PubChem CID 10966635) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
PubChem CID10966635
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@H]1CCC(=O)O1
InChIInChI=1S/C14H24O3/c1-9(2)11-5-4-10(3)8-12(11)16-14-7-6-13(15)17-14/h9-12,14H,4-8H2,1-3H3/t10-,11+,12-,14-/m1/s1
InChIKeyQUYCDLXSEYUZAO-GFQSEFKGSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
The IUPAC name of (5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one (CID 10966635) is (5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one.
What is the SMILES notation for (5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
The canonical SMILES for (5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
The InChIKey is QUYCDLXSEYUZAO-GFQSEFKGSA-N. The full InChI is InChI=1S/C14H24O3/c1-9(2)11-5-4-10(3)8-12(11)16-14-7-6-13(15)17-14/h9-12,14H,4-8H2,1-3H3/t10-,11+,12-,14-/m1/s1.
What are the key properties of (5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
(5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one has a molecular weight of 240.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one is sourced from PubChem (CID 10966635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).