[3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate

C12H22O3 — CID 20578019

IUPAC[3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate
SMILESCC(=O)OCC1CCC(C)(CO)C1(C)C
InChIInChI=1S/C12H22O3/c1-9(14)15-7-10-5-6-12(4,8-13)11(10,2)3/h10,13H,5-8H2,1-4H3
InChIKeyHKGXPRCHYNRTGU-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.98
Rot. Bonds3

About [3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate

[3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate (PubChem CID 20578019) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is [3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate.

Molecular Properties

Compound Name[3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate
PubChem CID20578019
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name[3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate
SMILESCC(=O)OCC1CCC(C)(CO)C1(C)C
InChIInChI=1S/C12H22O3/c1-9(14)15-7-10-5-6-12(4,8-13)11(10,2)3/h10,13H,5-8H2,1-4H3
InChIKeyHKGXPRCHYNRTGU-UHFFFAOYSA-N
XLogP1.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol
CID 95004190
6-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]hexan-3-one
CID 59054932
3-(acetyloxymethyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 70230096
[(1R,8R)-5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl]methyl acetate
CID 166917665
6-oxaspiro[2.5]octan-2-ylmethyl acetate
CID 131042123
[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]methanol
CID 7054243
cyclopropylmethyl acetate
CID 538333
[(1R,2S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methyl acetate
CID 7054470
[(5R)-4,4-dimethyl-1,3-dioxan-5-yl]methyl acetate
CID 10419969
[(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate
CID 134129812
(7a-methyl-5-oxo-2,3,3a,4,6,7-hexahydro-1H-inden-1-yl)methyl acetate
CID 13062720
[(1S,3aS,5S,7aR)-3a-hydroxy-5-(4-hydroxycyclohexyl)-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]methyl acetate
CID 11141892

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate?
The IUPAC name of [3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate (CID 20578019) is [3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate.
What is the SMILES notation for [3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate?
The canonical SMILES for [3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate is CC(=O)OCC1CCC(C)(CO)C1(C)C.
What is the InChIKey of [3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate?
The InChIKey is HKGXPRCHYNRTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-9(14)15-7-10-5-6-12(4,8-13)11(10,2)3/h10,13H,5-8H2,1-4H3.
What are the key properties of [3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate?
[3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate has a molecular weight of 214.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate is sourced from PubChem (CID 20578019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).