[2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)ethyl] ethaneperoxoate

C14H26O4 — CID 87308429

IUPAC[2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)ethyl] ethaneperoxoate
SMILESCC(=O)OOCC(O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C14H26O4/c1-9(2)12-6-5-10(3)7-13(12)14(16)8-17-18-11(4)15/h9-10,12-14,16H,5-8H2,1-4H3
InChIKeyVHWRLAGZXYKTOA-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.55
Rot. Bonds5

About [2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)ethyl] ethaneperoxoate

[2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)ethyl] ethaneperoxoate (PubChem CID 87308429) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is [2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)ethyl] ethaneperoxoate.

Molecular Properties

Compound Name[2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)ethyl] ethaneperoxoate
PubChem CID87308429
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name[2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)ethyl] ethaneperoxoate
SMILESCC(=O)OOCC(O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C14H26O4/c1-9(2)12-6-5-10(3)7-13(12)14(16)8-17-18-11(4)15/h9-10,12-14,16H,5-8H2,1-4H3
InChIKeyVHWRLAGZXYKTOA-UHFFFAOYSA-N
XLogP2.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze [2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)ethyl] ethaneperoxoate 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

1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol
CID 67111388
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
methane;(5-methyl-2-propan-2-ylcyclohexyl) acetate
CID 157342153
4-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate
CID 22599016
(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
2-ethyl-4-methyl-1-propan-2-ylcyclohexane;formamido acetate
CID 87523406
(E,1S)-3-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)but-2-ene-1,4-diol
CID 101174952
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methyl 2-aminoacetate
CID 153428354
2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)ethyl] ethaneperoxoate?
The IUPAC name of [2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)ethyl] ethaneperoxoate (CID 87308429) is [2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)ethyl] ethaneperoxoate.
What is the SMILES notation for [2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)ethyl] ethaneperoxoate?
The canonical SMILES for [2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)ethyl] ethaneperoxoate is CC(=O)OOCC(O)C1CC(C)CCC1C(C)C.
What is the InChIKey of [2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)ethyl] ethaneperoxoate?
The InChIKey is VHWRLAGZXYKTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-9(2)12-6-5-10(3)7-13(12)14(16)8-17-18-11(4)15/h9-10,12-14,16H,5-8H2,1-4H3.
What are the key properties of [2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)ethyl] ethaneperoxoate?
[2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)ethyl] ethaneperoxoate has a molecular weight of 258.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)ethyl] ethaneperoxoate is sourced from PubChem (CID 87308429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).