[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-hydroxypropanoate

C15H26O5 — CID 139246702

IUPAC[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-hydroxypropanoate
SMILESCC(O)C(=O)OCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C15H26O5/c1-9(2)12-6-5-10(3)7-13(12)20-14(17)8-19-15(18)11(4)16/h9-13,16H,5-8H2,1-4H3/t10-,11?,12+,13-/m1/s1
InChIKeyLXZYVMDKTQZQFK-IBSWDFHHSA-N
MW286.37 g/mol
LogP1.91
Rot. Bonds5

About [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-hydroxypropanoate

[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-hydroxypropanoate (PubChem CID 139246702) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-hydroxypropanoate.

Molecular Properties

Compound Name[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-hydroxypropanoate
PubChem CID139246702
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-hydroxypropanoate
SMILESCC(O)C(=O)OCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C15H26O5/c1-9(2)12-6-5-10(3)7-13(12)20-14(17)8-19-15(18)11(4)16/h9-13,16H,5-8H2,1-4H3/t10-,11?,12+,13-/m1/s1
InChIKeyLXZYVMDKTQZQFK-IBSWDFHHSA-N
XLogP1.91
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-hydroxypropanoate with MolForge

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Related Compounds

l-Menthyl l-lactate
CID 7076215
(-)-Menthyl lactate
CID 62151
l-Menthyl D-lactate
CID 2724573
Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
CID 28358
Menglytate
CID 68932
2-((5-Methyl-2-(1-methylethyl)cyclohexyl)oxy)acetic acid
CID 97814
2S-isopropyl-5R-methyl-1R-cyclohexyl 2,2-dihydroxyacetate
CID 7373179
Ethanedioic acid, 1,2-bis[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl] ester, rel-
CID 11383005
4-Cyclohexylbutyl 2-hydroxybutanoate
CID 71453719
5-Cyclohexylpentyl 2-hydroxybutanoate
CID 71460899
[1S-(1alpha,2beta,5alpha)]-[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]acetic acid
CID 2733292
2-[[(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]acetic acid
CID 7018861

Frequently Asked Questions

What is the IUPAC name of [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-hydroxypropanoate?
The IUPAC name of [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-hydroxypropanoate (CID 139246702) is [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-hydroxypropanoate.
What is the SMILES notation for [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-hydroxypropanoate?
The canonical SMILES for [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-hydroxypropanoate is CC(O)C(=O)OCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-hydroxypropanoate?
The InChIKey is LXZYVMDKTQZQFK-IBSWDFHHSA-N. The full InChI is InChI=1S/C15H26O5/c1-9(2)12-6-5-10(3)7-13(12)20-14(17)8-19-15(18)11(4)16/h9-13,16H,5-8H2,1-4H3/t10-,11?,12+,13-/m1/s1.
What are the key properties of [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-hydroxypropanoate?
[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-hydroxypropanoate has a molecular weight of 286.37 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-hydroxypropanoate is sourced from PubChem (CID 139246702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).