(3R,5R)-3-(2-hydroxypropan-2-yl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one

C17H30O4 — CID 11098557

IUPAC(3R,5R)-3-(2-hydroxypropan-2-yl)-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]1C[C@H](C(C)(C)O)C(=O)O1
InChIInChI=1S/C17H30O4/c1-10(2)12-7-6-11(3)8-14(12)20-15-9-13(16(18)21-15)17(4,5)19/h10-15,19H,6-9H2,1-5H3/t11-,12+,13+,14-,15-/m1/s1
InChIKeyGSZDQAZIEGOXPE-GZBLMMOJSA-N
MW298.42 g/mol
LogP3.12
Rot. Bonds4

About (3R,5R)-3-(2-hydroxypropan-2-yl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one

(3R,5R)-3-(2-hydroxypropan-2-yl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one (PubChem CID 11098557) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is (3R,5R)-3-(2-hydroxypropan-2-yl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-3-(2-hydroxypropan-2-yl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
PubChem CID11098557
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name(3R,5R)-3-(2-hydroxypropan-2-yl)-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]1C[C@H](C(C)(C)O)C(=O)O1
InChIInChI=1S/C17H30O4/c1-10(2)12-7-6-11(3)8-14(12)20-15-9-13(16(18)21-15)17(4,5)19/h10-15,19H,6-9H2,1-5H3/t11-,12+,13+,14-,15-/m1/s1
InChIKeyGSZDQAZIEGOXPE-GZBLMMOJSA-N
XLogP3.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
(2R)-4-chloro-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 102241496
1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethane-1,1-diol
CID 143659959
(2S)-2-[(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 57325346
(2R)-2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 12889153
(2R)-2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 12037499
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one
CID 3732429
(1S,4S,5R)-5-chloro-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-oxabicyclo[3.2.0]heptan-2-one
CID 11087920
3,4-dichloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one
CID 4049586
(5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate
CID 62822105
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dimethylpropanoate
CID 12738090
trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane
CID 137488514

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-(2-hydroxypropan-2-yl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
The IUPAC name of (3R,5R)-3-(2-hydroxypropan-2-yl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one (CID 11098557) is (3R,5R)-3-(2-hydroxypropan-2-yl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one.
What is the SMILES notation for (3R,5R)-3-(2-hydroxypropan-2-yl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
The canonical SMILES for (3R,5R)-3-(2-hydroxypropan-2-yl)-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]1C[C@H](C(C)(C)O)C(=O)O1.
What is the InChIKey of (3R,5R)-3-(2-hydroxypropan-2-yl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
The InChIKey is GSZDQAZIEGOXPE-GZBLMMOJSA-N. The full InChI is InChI=1S/C17H30O4/c1-10(2)12-7-6-11(3)8-14(12)20-15-9-13(16(18)21-15)17(4,5)19/h10-15,19H,6-9H2,1-5H3/t11-,12+,13+,14-,15-/m1/s1.
What are the key properties of (3R,5R)-3-(2-hydroxypropan-2-yl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
(3R,5R)-3-(2-hydroxypropan-2-yl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one has a molecular weight of 298.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-(2-hydroxypropan-2-yl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one is sourced from PubChem (CID 11098557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).