[(1R)-2-methoxycyclohexyl] acetate

C9H16O3 — CID 54050527

IUPAC[(1R)-2-methoxycyclohexyl] acetate
SMILESCOC1CCCC[C@H]1OC(C)=O
InChIInChI=1S/C9H16O3/c1-7(10)12-9-6-4-3-5-8(9)11-2/h8-9H,3-6H2,1-2H3/t8?,9-/m1/s1
InChIKeyLSOLQEYCFGSFGP-YGPZHTELSA-N
MW172.22 g/mol
LogP1.51
Rot. Bonds2

About [(1R)-2-methoxycyclohexyl] acetate

[(1R)-2-methoxycyclohexyl] acetate (PubChem CID 54050527) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is [(1R)-2-methoxycyclohexyl] acetate.

Molecular Properties

Compound Name[(1R)-2-methoxycyclohexyl] acetate
PubChem CID54050527
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name[(1R)-2-methoxycyclohexyl] acetate
SMILESCOC1CCCC[C@H]1OC(C)=O
InChIInChI=1S/C9H16O3/c1-7(10)12-9-6-4-3-5-8(9)11-2/h8-9H,3-6H2,1-2H3/t8?,9-/m1/s1
InChIKeyLSOLQEYCFGSFGP-YGPZHTELSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxycyclobutyl) acetate
CID 68941344
[(1R,2R)-2-methylcyclohexyl] acetate
CID 12705473
[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] acetate
CID 66824801
[(1S,2S)-2-fluorocyclohexyl] acetate
CID 45090703
[(1S,2S)-2-methylcyclopentyl] acetate
CID 22212873
(E)-3-hydroxy-1-[(1R,2R)-2-methoxycyclohexyl]oxy-1-oxobut-2-ene-2-diazonium
CID 54680398
[(2S)-2-methylsulfinylcyclohexyl] acetate
CID 145097634
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
(6-acetyloxycyclodecyl) acetate
CID 539578
(2-methoxycyclohexyl) hexanoate
CID 78887524
[(1S,4Z,8S)-8-acetyloxycyclooct-4-en-1-yl] acetate
CID 10867992
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-methoxycyclohexyl] acetate?
The IUPAC name of [(1R)-2-methoxycyclohexyl] acetate (CID 54050527) is [(1R)-2-methoxycyclohexyl] acetate.
What is the SMILES notation for [(1R)-2-methoxycyclohexyl] acetate?
The canonical SMILES for [(1R)-2-methoxycyclohexyl] acetate is COC1CCCC[C@H]1OC(C)=O.
What is the InChIKey of [(1R)-2-methoxycyclohexyl] acetate?
The InChIKey is LSOLQEYCFGSFGP-YGPZHTELSA-N. The full InChI is InChI=1S/C9H16O3/c1-7(10)12-9-6-4-3-5-8(9)11-2/h8-9H,3-6H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of [(1R)-2-methoxycyclohexyl] acetate?
[(1R)-2-methoxycyclohexyl] acetate has a molecular weight of 172.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-methoxycyclohexyl] acetate is sourced from PubChem (CID 54050527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).