(2-hydroxy-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl acetate

C12H20O3 — CID 85385549

IUPAC(2-hydroxy-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl acetate
SMILESCC(=O)OCC1(O)C2CCC(C2)C1(C)C
InChIInChI=1S/C12H20O3/c1-8(13)15-7-12(14)10-5-4-9(6-10)11(12,2)3/h9-10,14H,4-7H2,1-3H3
InChIKeyROLMXLIARALJQQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.74
Rot. Bonds2

About (2-hydroxy-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl acetate

(2-hydroxy-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl acetate (PubChem CID 85385549) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2-hydroxy-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl acetate.

Molecular Properties

Compound Name(2-hydroxy-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl acetate
PubChem CID85385549
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(2-hydroxy-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl acetate
SMILESCC(=O)OCC1(O)C2CCC(C2)C1(C)C
InChIInChI=1S/C12H20O3/c1-8(13)15-7-12(14)10-5-4-9(6-10)11(12,2)3/h9-10,14H,4-7H2,1-3H3
InChIKeyROLMXLIARALJQQ-UHFFFAOYSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-hydroxy-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl acetate 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,4R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol
CID 11008359
(1R,2S,4S)-3,3-dimethyl-2-(methylsulfonylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 15828690
(1,3-dihydroxy-2,2-dimethylcyclopentyl)methyl acetate
CID 156768140
3-(acetyloxymethyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 70230096
[8-(acetyloxymethyl)-2,2,7,7-tetrafluoro-1-tricyclo[4.3.1.13,8]undecanyl]methyl acetate
CID 167886348
(2-methyloxiran-2-yl)methyl acetate
CID 10103200
[(1R,2R,6S)-2-(acetyloxymethyl)-2-hydroxy-6-(methoxymethoxy)-1-methylcyclohexyl]methyl acetate
CID 101354324
[(3R)-1-(acetyloxymethyl)-3-methylcyclohexyl]methyl acetate
CID 168973953
[5,13-dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate
CID 14843889
[(1S,2S,5R,6R,7R,10S,12R,13R)-5,13-dihydroxy-13-(hydroxymethyl)-2,6-dimethyl-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate
CID 5458777
(1-aminocyclopropyl)methyl acetate
CID 150213578
[(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate
CID 10490483

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl acetate?
The IUPAC name of (2-hydroxy-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl acetate (CID 85385549) is (2-hydroxy-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl acetate.
What is the SMILES notation for (2-hydroxy-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl acetate?
The canonical SMILES for (2-hydroxy-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl acetate is CC(=O)OCC1(O)C2CCC(C2)C1(C)C.
What is the InChIKey of (2-hydroxy-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl acetate?
The InChIKey is ROLMXLIARALJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-8(13)15-7-12(14)10-5-4-9(6-10)11(12,2)3/h9-10,14H,4-7H2,1-3H3.
What are the key properties of (2-hydroxy-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl acetate?
(2-hydroxy-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl acetate has a molecular weight of 212.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl acetate is sourced from PubChem (CID 85385549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).