[(1R,2R)-2-methylcyclohexyl] acetate

C9H16O2 — CID 12705473

IUPAC[(1R,2R)-2-methylcyclohexyl] acetate
SMILESCC(=O)O[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C9H16O2/c1-7-5-3-4-6-9(7)11-8(2)10/h7,9H,3-6H2,1-2H3/t7-,9-/m1/s1
InChIKeyAKIIJALHGMKJEJ-VXNVDRBHSA-N
MW156.22 g/mol
LogP2.13
Rot. Bonds1

About [(1R,2R)-2-methylcyclohexyl] acetate

[(1R,2R)-2-methylcyclohexyl] acetate (PubChem CID 12705473) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is [(1R,2R)-2-methylcyclohexyl] acetate.

Molecular Properties

Compound Name[(1R,2R)-2-methylcyclohexyl] acetate
PubChem CID12705473
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name[(1R,2R)-2-methylcyclohexyl] acetate
SMILESCC(=O)O[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C9H16O2/c1-7-5-3-4-6-9(7)11-8(2)10/h7,9H,3-6H2,1-2H3/t7-,9-/m1/s1
InChIKeyAKIIJALHGMKJEJ-VXNVDRBHSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2S)-2-methylcyclopentyl] acetate
CID 22212873
(2-methylcyclohexyl) carbamate
CID 45090963
(2-methylcyclohexyl) methylsulfanylformate
CID 162486245
[(1R)-2-methoxycyclohexyl] acetate
CID 54050527
(2-methylcyclohexyl) propanoate
CID 546179
[(1S,2S)-2-fluorocyclohexyl] acetate
CID 45090703
[(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate
CID 70403752
(2-methylcyclohexyl) (E)-but-2-enoate
CID 130359128
[(1S,2R)-2-methylcyclohexyl] butanoate
CID 91695904
[(1S,5Z,6S)-5-ethylidene-2,6-dimethylcyclononyl] acetate
CID 71104012
(2-methylcyclohexyl) 2,2,3,3,3-pentafluoropropanoate
CID 91697691
[(1R,2R)-2-methylcyclopentyl] 2-methylpropanoate
CID 156545215

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methylcyclohexyl] acetate?
The IUPAC name of [(1R,2R)-2-methylcyclohexyl] acetate (CID 12705473) is [(1R,2R)-2-methylcyclohexyl] acetate.
What is the SMILES notation for [(1R,2R)-2-methylcyclohexyl] acetate?
The canonical SMILES for [(1R,2R)-2-methylcyclohexyl] acetate is CC(=O)O[C@@H]1CCCC[C@H]1C.
What is the InChIKey of [(1R,2R)-2-methylcyclohexyl] acetate?
The InChIKey is AKIIJALHGMKJEJ-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-5-3-4-6-9(7)11-8(2)10/h7,9H,3-6H2,1-2H3/t7-,9-/m1/s1.
What are the key properties of [(1R,2R)-2-methylcyclohexyl] acetate?
[(1R,2R)-2-methylcyclohexyl] acetate has a molecular weight of 156.22 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methylcyclohexyl] acetate is sourced from PubChem (CID 12705473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).