4-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate

C15H27O3- — CID 22599016

IUPAC4-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate
SMILESCC(O)CC(C(=O)[O-])C1CC(C)CCC1C(C)C
InChIInChI=1S/C15H28O3/c1-9(2)12-6-5-10(3)7-13(12)14(15(17)18)8-11(4)16/h9-14,16H,5-8H2,1-4H3,(H,17,18)/p-1
InChIKeyLMFREMVGHSDMCU-UHFFFAOYSA-M
MW255.38 g/mol
LogP1.83
Rot. Bonds5

About 4-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate

4-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate (PubChem CID 22599016) has the molecular formula C15H27O3- and a molecular weight of 255.38 g/mol. Its IUPAC name is 4-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate.

Molecular Properties

Compound Name4-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate
PubChem CID22599016
Molecular FormulaC15H27O3-
Molecular Weight255.38 g/mol
Exact Mass255.20
IUPAC Name4-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate
SMILESCC(O)CC(C(=O)[O-])C1CC(C)CCC1C(C)C
InChIInChI=1S/C15H28O3/c1-9(2)12-6-5-10(3)7-13(12)14(15(17)18)8-11(4)16/h9-14,16H,5-8H2,1-4H3,(H,17,18)/p-1
InChIKeyLMFREMVGHSDMCU-UHFFFAOYSA-M
XLogP1.83
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-bis(5-methyl-2-propan-2-ylcyclohexyl)heptan-4-one
CID 21245671
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol
CID 67111388
(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)acetate
CID 69102775
2-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)acetic acid
CID 57350907
(5-methyl-2-propan-2-ylcyclohexyl) 3-(5-methyl-2-propan-2-ylcyclohexyl)butanoate
CID 23619357
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxyacetate
CID 39870900
4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-4-oxobutanoate
CID 18676664
[2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)ethyl] ethaneperoxoate
CID 87308429
2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 7164421
2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952
trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 142957322

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate?
The IUPAC name of 4-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate (CID 22599016) is 4-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate.
What is the SMILES notation for 4-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate?
The canonical SMILES for 4-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate is CC(O)CC(C(=O)[O-])C1CC(C)CCC1C(C)C.
What is the InChIKey of 4-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate?
The InChIKey is LMFREMVGHSDMCU-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H28O3/c1-9(2)12-6-5-10(3)7-13(12)14(15(17)18)8-11(4)16/h9-14,16H,5-8H2,1-4H3,(H,17,18)/p-1.
What are the key properties of 4-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate?
4-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate has a molecular weight of 255.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate is sourced from PubChem (CID 22599016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).