(3-hydroxy-3,5,5-trimethylcyclohexyl) acetate

C11H20O3 — CID 143263923

IUPAC(3-hydroxy-3,5,5-trimethylcyclohexyl) acetate
SMILESCC(=O)OC1CC(C)(C)CC(C)(O)C1
InChIInChI=1S/C11H20O3/c1-8(12)14-9-5-10(2,3)7-11(4,13)6-9/h9,13H,5-7H2,1-4H3
InChIKeyCCEVHQPEEVYOOF-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.88
Rot. Bonds1

About (3-hydroxy-3,5,5-trimethylcyclohexyl) acetate

(3-hydroxy-3,5,5-trimethylcyclohexyl) acetate (PubChem CID 143263923) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3-hydroxy-3,5,5-trimethylcyclohexyl) acetate.

Molecular Properties

Compound Name(3-hydroxy-3,5,5-trimethylcyclohexyl) acetate
PubChem CID143263923
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(3-hydroxy-3,5,5-trimethylcyclohexyl) acetate
SMILESCC(=O)OC1CC(C)(C)CC(C)(O)C1
InChIInChI=1S/C11H20O3/c1-8(12)14-9-5-10(2,3)7-11(4,13)6-9/h9,13H,5-7H2,1-4H3
InChIKeyCCEVHQPEEVYOOF-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,3R)-3-acetyl-3,4,4-trimethylcyclopentyl] acetate
CID 15375852
(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate
CID 708860
(3-hydroxy-3-methylcyclobutyl) 2,2-dimethylpropanoate
CID 118138159
[(1R,3S,6S)-1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]heptan-3-yl] acetate
CID 15375850
1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate
CID 158360818
1,5,5-trimethylcyclohexane-1,3-diol
CID 12684659
(2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate
CID 89097628
fluoromethane;1,3,3,5-tetramethylcyclohexan-1-ol
CID 142032504
(3,3-dimethylcyclobutyl) 2-methylpropanoate
CID 130735356
[(1S,3R)-3-hydroxy-4-(2-iodoethenylidene)-3,5,5-trimethylcyclohexyl] acetate
CID 139114406
(6-acetyloxycyclodecyl) acetate
CID 539578
(2-amino-4,4-dimethylcyclopentyl) acetate
CID 174313858

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3,5,5-trimethylcyclohexyl) acetate?
The IUPAC name of (3-hydroxy-3,5,5-trimethylcyclohexyl) acetate (CID 143263923) is (3-hydroxy-3,5,5-trimethylcyclohexyl) acetate.
What is the SMILES notation for (3-hydroxy-3,5,5-trimethylcyclohexyl) acetate?
The canonical SMILES for (3-hydroxy-3,5,5-trimethylcyclohexyl) acetate is CC(=O)OC1CC(C)(C)CC(C)(O)C1.
What is the InChIKey of (3-hydroxy-3,5,5-trimethylcyclohexyl) acetate?
The InChIKey is CCEVHQPEEVYOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-8(12)14-9-5-10(2,3)7-11(4,13)6-9/h9,13H,5-7H2,1-4H3.
What are the key properties of (3-hydroxy-3,5,5-trimethylcyclohexyl) acetate?
(3-hydroxy-3,5,5-trimethylcyclohexyl) acetate has a molecular weight of 200.28 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3,5,5-trimethylcyclohexyl) acetate is sourced from PubChem (CID 143263923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).