[(1R,2R)-2-propan-2-ylcyclopentyl] acetate

C10H18O2 — CID 158589886

IUPAC[(1R,2R)-2-propan-2-ylcyclopentyl] acetate
SMILESCC(=O)O[C@@H]1CCC[C@@H]1C(C)C
InChIInChI=1S/C10H18O2/c1-7(2)9-5-4-6-10(9)12-8(3)11/h7,9-10H,4-6H2,1-3H3/t9-,10-/m1/s1
InChIKeyDBBPHTBALVRNHN-NXEZZACHSA-N
MW170.25 g/mol
LogP2.37
Rot. Bonds2

About [(1R,2R)-2-propan-2-ylcyclopentyl] acetate

[(1R,2R)-2-propan-2-ylcyclopentyl] acetate (PubChem CID 158589886) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(1R,2R)-2-propan-2-ylcyclopentyl] acetate.

Molecular Properties

Compound Name[(1R,2R)-2-propan-2-ylcyclopentyl] acetate
PubChem CID158589886
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[(1R,2R)-2-propan-2-ylcyclopentyl] acetate
SMILESCC(=O)O[C@@H]1CCC[C@@H]1C(C)C
InChIInChI=1S/C10H18O2/c1-7(2)9-5-4-6-10(9)12-8(3)11/h7,9-10H,4-6H2,1-3H3/t9-,10-/m1/s1
InChIKeyDBBPHTBALVRNHN-NXEZZACHSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methane;(5-methyl-2-propan-2-ylcyclohexyl) acetate
CID 157342153
[(1S,2S)-2-methylcyclopentyl] acetate
CID 22212873
cis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane
CID 137449477
2-methyl-3-oxo-3-(2-propan-2-ylcyclopentyl)oxypropane-1-sulfonate
CID 140759317
(3-propan-2-yloxan-2-yl) acetate
CID 91983932
trans-(1R,2S)-1-propan-2-yl-2-propan-2-yloxycyclopentane
CID 153444670
[(1R,2R)-2-methylcyclohexyl] acetate
CID 12705473
[(1R)-2-methoxycyclohexyl] acetate
CID 54050527
(3-ethyl-2-methylcyclohexyl) acetate
CID 146440367
[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] acetate
CID 66824801
[(1R,5R)-5-(2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] acetate
CID 20593567
[(1S,2S)-2-fluorocyclohexyl] acetate
CID 45090703

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-propan-2-ylcyclopentyl] acetate?
The IUPAC name of [(1R,2R)-2-propan-2-ylcyclopentyl] acetate (CID 158589886) is [(1R,2R)-2-propan-2-ylcyclopentyl] acetate.
What is the SMILES notation for [(1R,2R)-2-propan-2-ylcyclopentyl] acetate?
The canonical SMILES for [(1R,2R)-2-propan-2-ylcyclopentyl] acetate is CC(=O)O[C@@H]1CCC[C@@H]1C(C)C.
What is the InChIKey of [(1R,2R)-2-propan-2-ylcyclopentyl] acetate?
The InChIKey is DBBPHTBALVRNHN-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)9-5-4-6-10(9)12-8(3)11/h7,9-10H,4-6H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of [(1R,2R)-2-propan-2-ylcyclopentyl] acetate?
[(1R,2R)-2-propan-2-ylcyclopentyl] acetate has a molecular weight of 170.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-propan-2-ylcyclopentyl] acetate is sourced from PubChem (CID 158589886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).