(2,3,5-trimethylcyclopentyl) acetate

C10H18O2 — CID 131862740

IUPAC(2,3,5-trimethylcyclopentyl) acetate
SMILESCC(=O)OC1C(C)CC(C)C1C
InChIInChI=1S/C10H18O2/c1-6-5-7(2)10(8(6)3)12-9(4)11/h6-8,10H,5H2,1-4H3
InChIKeyXTGINLKCRPTFFR-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.23
Rot. Bonds1

About (2,3,5-trimethylcyclopentyl) acetate

(2,3,5-trimethylcyclopentyl) acetate (PubChem CID 131862740) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2,3,5-trimethylcyclopentyl) acetate.

Molecular Properties

Compound Name(2,3,5-trimethylcyclopentyl) acetate
PubChem CID131862740
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2,3,5-trimethylcyclopentyl) acetate
SMILESCC(=O)OC1C(C)CC(C)C1C
InChIInChI=1S/C10H18O2/c1-6-5-7(2)10(8(6)3)12-9(4)11/h6-8,10H,5H2,1-4H3
InChIKeyXTGINLKCRPTFFR-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2R,3R,4R,5R)-2,3,4-triacetyloxy-5-methylcyclohexyl] acetate
CID 170294536
2-bicyclo[1.1.1]pentanyl acetate
CID 23270357
(6-methoxy-2,4-dimethyloxan-3-yl) acetate
CID 20577444
[(2R,3R,4S,5S)-2-bromo-4,5-dimethyloxan-3-yl] acetate
CID 58265385
[(1R,2R,3R,4R)-2,3,4-triacetyloxycyclopentyl] acetate
CID 101209546
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(1S,3R,4R,5S,6S,8R,9R,10S)-5,9,10-triacetyloxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] acetate
CID 56653848
[(1S,4S)-4-fluoro-2-methylcyclopentyl] acetate
CID 126664181
[(1R,2S,3R,4S)-4-hydroxy-2,3-dimethylcyclopentyl] acetate
CID 130206896
(2,3,4,5,6-pentahydroxycyclohexyl) acetate
CID 19814832
3-tetracyclo[5.3.1.12,6.04,9]dodecanyl acetate
CID 594790
bis(2,3,6-trimethylcyclohexyl) carbonate
CID 20659539

Frequently Asked Questions

What is the IUPAC name of (2,3,5-trimethylcyclopentyl) acetate?
The IUPAC name of (2,3,5-trimethylcyclopentyl) acetate (CID 131862740) is (2,3,5-trimethylcyclopentyl) acetate.
What is the SMILES notation for (2,3,5-trimethylcyclopentyl) acetate?
The canonical SMILES for (2,3,5-trimethylcyclopentyl) acetate is CC(=O)OC1C(C)CC(C)C1C.
What is the InChIKey of (2,3,5-trimethylcyclopentyl) acetate?
The InChIKey is XTGINLKCRPTFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-6-5-7(2)10(8(6)3)12-9(4)11/h6-8,10H,5H2,1-4H3.
What are the key properties of (2,3,5-trimethylcyclopentyl) acetate?
(2,3,5-trimethylcyclopentyl) acetate has a molecular weight of 170.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5-trimethylcyclopentyl) acetate is sourced from PubChem (CID 131862740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).