ethyl 2-[(1R,3R)-3-methoxycyclohexyl]acetate

C11H20O3 — CID 98041349

IUPACethyl 2-[(1R,3R)-3-methoxycyclohexyl]acetate
SMILESCCOC(=O)C[C@@H]1CCC[C@@H](OC)C1
InChIInChI=1S/C11H20O3/c1-3-14-11(12)8-9-5-4-6-10(7-9)13-2/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyPZGQPIICZWXACX-NXEZZACHSA-N
MW200.28 g/mol
LogP2.14
Rot. Bonds4

About ethyl 2-[(1R,3R)-3-methoxycyclohexyl]acetate

ethyl 2-[(1R,3R)-3-methoxycyclohexyl]acetate (PubChem CID 98041349) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 2-[(1R,3R)-3-methoxycyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R,3R)-3-methoxycyclohexyl]acetate
PubChem CID98041349
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl 2-[(1R,3R)-3-methoxycyclohexyl]acetate
SMILESCCOC(=O)C[C@@H]1CCC[C@@H](OC)C1
InChIInChI=1S/C11H20O3/c1-3-14-11(12)8-9-5-4-6-10(7-9)13-2/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyPZGQPIICZWXACX-NXEZZACHSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
CID 58358703
ethyl 2-[(1S,3R)-3-hydroxycyclohexyl]acetate;ethyl 2-[(1S,3S)-3-hydroxycyclohexyl]acetate
CID 159851625
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 10828109
2-[(1R,3S)-3-methoxycyclopentyl]acetamide
CID 66658850
ethyl 2-(azocan-5-yl)acetate
CID 123423074
ethyl acetate;ethyl 2-cyclohexylacetate
CID 66912131
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
ethyl 2-[(2S,4S)-4-methoxypyrrolidin-2-yl]acetate
CID 97300328
ethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate
CID 97300329
ethyl 2-[4-(aminomethyl)cyclohexyl]acetate
CID 70333182
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036
4-O-cyclobutyl 1-O-ethyl butanedioate
CID 91702391

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R,3R)-3-methoxycyclohexyl]acetate?
The IUPAC name of ethyl 2-[(1R,3R)-3-methoxycyclohexyl]acetate (CID 98041349) is ethyl 2-[(1R,3R)-3-methoxycyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[(1R,3R)-3-methoxycyclohexyl]acetate?
The canonical SMILES for ethyl 2-[(1R,3R)-3-methoxycyclohexyl]acetate is CCOC(=O)C[C@@H]1CCC[C@@H](OC)C1.
What is the InChIKey of ethyl 2-[(1R,3R)-3-methoxycyclohexyl]acetate?
The InChIKey is PZGQPIICZWXACX-NXEZZACHSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-14-11(12)8-9-5-4-6-10(7-9)13-2/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of ethyl 2-[(1R,3R)-3-methoxycyclohexyl]acetate?
ethyl 2-[(1R,3R)-3-methoxycyclohexyl]acetate has a molecular weight of 200.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R,3R)-3-methoxycyclohexyl]acetate is sourced from PubChem (CID 98041349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).