2-hydroxypropanoic acid;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate;hydroxide

C26H51O8- — CID 159704935

IUPAC2-hydroxypropanoic acid;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate;hydroxide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.CC(O)C(=O)O.CC(O)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C.[OH-]
InChIInChI=1S/C13H24O3.C10H20O.C3H6O3.H2O/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14;1-7(2)9-5-4-8(3)6-10(9)11;1-2(4)3(5)6;/h8-12,14H,5-7H2,1-4H3;7-11H,4-6H2,1-3H3;2,4H,1H3,(H,5,6);1H2/p-1/t9-,10?,11+,12-;8-,9+,10-;;/m11../s1
InChIKeyVKHLQYVTPYOPFJ-DWJRSFCQSA-M
MW491.69 g/mol
LogP4.09
Rot. Bonds5

About 2-hydroxypropanoic acid;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate;hydroxide

2-hydroxypropanoic acid;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate;hydroxide (PubChem CID 159704935) has the molecular formula C26H51O8- and a molecular weight of 491.69 g/mol. Its IUPAC name is 2-hydroxypropanoic acid;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate;hydroxide.

Molecular Properties

Compound Name2-hydroxypropanoic acid;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate;hydroxide
PubChem CID159704935
Molecular FormulaC26H51O8-
Molecular Weight491.69 g/mol
Exact Mass491.36
IUPAC Name2-hydroxypropanoic acid;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate;hydroxide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.CC(O)C(=O)O.CC(O)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C.[OH-]
InChIInChI=1S/C13H24O3.C10H20O.C3H6O3.H2O/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14;1-7(2)9-5-4-8(3)6-10(9)11;1-2(4)3(5)6;/h8-12,14H,5-7H2,1-4H3;7-11H,4-6H2,1-3H3;2,4H,1H3,(H,5,6);1H2/p-1/t9-,10?,11+,12-;8-,9+,10-;;/m11../s1
InChIKeyVKHLQYVTPYOPFJ-DWJRSFCQSA-M
XLogP4.09
TPSA154.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.69
LogP ≤ 54.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-hydroxypropanoic acid;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-hydroxypropanoate
CID 42531163
1-O-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,3S)-2,3-dihydroxybutanedioate
CID 11887456
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dihydroxyacetate
CID 51407482
[(2R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxopropan-2-yl] (2S)-2-hydroxypropanoate;[(2R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxopropan-2-yl] (2R)-2-hydroxypropanoate;[(2S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxopropan-2-yl] (2S)-2-hydroxypropanoate;[(2S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxopropan-2-yl] (2R)-2-hydroxypropanoate
CID 158093216
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanedioate
CID 101364051
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138993
[(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138995
(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)acetate
CID 69102775
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-hydroxy-2-phenylacetate
CID 124836317
(5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-3-oxobutanoate
CID 156702086
carbonic acid;2-methylpropane-1,2-diol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(5-methyl-2-propan-2-ylcyclohexyl) hydrogen carbonate;propane-1,2-diol
CID 175117558
1-O-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-O-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxy-3-oxobutanedioate
CID 123712529

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoic acid;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate;hydroxide?
The IUPAC name of 2-hydroxypropanoic acid;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate;hydroxide (CID 159704935) is 2-hydroxypropanoic acid;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate;hydroxide.
What is the SMILES notation for 2-hydroxypropanoic acid;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate;hydroxide?
The canonical SMILES for 2-hydroxypropanoic acid;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate;hydroxide is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.CC(O)C(=O)O.CC(O)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C.[OH-].
What is the InChIKey of 2-hydroxypropanoic acid;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate;hydroxide?
The InChIKey is VKHLQYVTPYOPFJ-DWJRSFCQSA-M. The full InChI is InChI=1S/C13H24O3.C10H20O.C3H6O3.H2O/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14;1-7(2)9-5-4-8(3)6-10(9)11;1-2(4)3(5)6;/h8-12,14H,5-7H2,1-4H3;7-11H,4-6H2,1-3H3;2,4H,1H3,(H,5,6);1H2/p-1/t9-,10?,11+,12-;8-,9+,10-;;/m11../s1.
What are the key properties of 2-hydroxypropanoic acid;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate;hydroxide?
2-hydroxypropanoic acid;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate;hydroxide has a molecular weight of 491.69 g/mol, XLogP of 4.09, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoic acid;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate;hydroxide is sourced from PubChem (CID 159704935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).