ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate

C11H20O3 — CID 58938909

IUPACethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate
SMILESCCOC(=O)CC1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C11H20O3/c1-4-13-11(12)7-10-5-8(2)14-9(3)6-10/h8-10H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyAANJAKBGRXOOFF-RKDXNWHRSA-N
MW200.28 g/mol
LogP2.14
Rot. Bonds3

About ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate

ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate (PubChem CID 58938909) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate
PubChem CID58938909
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate
SMILESCCOC(=O)CC1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C11H20O3/c1-4-13-11(12)7-10-5-8(2)14-9(3)6-10/h8-10H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyAANJAKBGRXOOFF-RKDXNWHRSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid
CID 154927365
ethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 19748295
ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
CID 58358703
ethyl (4R)-4-methyloxetane-2-carboxylate
CID 178051520
ethyl 2-(2,2,6,6-tetramethyloxan-4-yl)acetate
CID 54474466
ethyl 2-[4-(aminomethyl)cyclohexyl]acetate
CID 70333182
2-(2,6-dimethyloxan-4-yl)ethyl acetate
CID 134539061
ethyl 2-(4-bromocyclohexyl)acetate
CID 54545940
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036
ethyl 2-[(1S,3R)-3-hydroxycyclohexyl]acetate;ethyl 2-[(1S,3S)-3-hydroxycyclohexyl]acetate
CID 159851625
ethyl 2-(2,2,6-trimethylpiperidin-4-yl)acetate
CID 121001595
ethyl 2-[5-(iodomethyl)-4-methyloxolan-2-yl]acetate
CID 158184945

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate?
The IUPAC name of ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate (CID 58938909) is ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate is CCOC(=O)CC1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate?
The InChIKey is AANJAKBGRXOOFF-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-13-11(12)7-10-5-8(2)14-9(3)6-10/h8-10H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate?
ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate has a molecular weight of 200.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate is sourced from PubChem (CID 58938909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).