ethyl (2R)-4-methyl-2-propan-2-yloxypentanoate

C11H22O3 — CID 89114303

IUPACethyl (2R)-4-methyl-2-propan-2-yloxypentanoate
SMILESCCOC(=O)[C@@H](CC(C)C)OC(C)C
InChIInChI=1S/C11H22O3/c1-6-13-11(12)10(7-8(2)3)14-9(4)5/h8-10H,6-7H2,1-5H3/t10-/m1/s1
InChIKeyIBXRLSOCINHTJT-SNVBAGLBSA-N
MW202.29 g/mol
LogP2.39
Rot. Bonds6

About ethyl (2R)-4-methyl-2-propan-2-yloxypentanoate

ethyl (2R)-4-methyl-2-propan-2-yloxypentanoate (PubChem CID 89114303) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is ethyl (2R)-4-methyl-2-propan-2-yloxypentanoate.

Molecular Properties

Compound Nameethyl (2R)-4-methyl-2-propan-2-yloxypentanoate
PubChem CID89114303
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Nameethyl (2R)-4-methyl-2-propan-2-yloxypentanoate
SMILESCCOC(=O)[C@@H](CC(C)C)OC(C)C
InChIInChI=1S/C11H22O3/c1-6-13-11(12)10(7-8(2)3)14-9(4)5/h8-10H,6-7H2,1-5H3/t10-/m1/s1
InChIKeyIBXRLSOCINHTJT-SNVBAGLBSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-propan-2-yloxybutanedioate
CID 139989245
diethyl (2R,3R)-2,3-bis(2-methylpropyl)butanedioate
CID 100932305
ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 11658447
ethyl 2-fluoro-2-propan-2-yloxyacetate
CID 79357119
[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]azanium
CID 6994014
ethyl (2S)-2-(aminomethyl)-4-methylpentanoate
CID 94397761
ethyl 2-(aminomethyl)-4-methylpentanoate
CID 16641205
ethyl 4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]pentanoate
CID 21198284
ethyl 2-propan-2-yloxy-3-pyridin-4-ylpropanoate
CID 22494133
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
1-ethoxy-1-oxopropane-2-diazonium
CID 91448571

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-4-methyl-2-propan-2-yloxypentanoate?
The IUPAC name of ethyl (2R)-4-methyl-2-propan-2-yloxypentanoate (CID 89114303) is ethyl (2R)-4-methyl-2-propan-2-yloxypentanoate.
What is the SMILES notation for ethyl (2R)-4-methyl-2-propan-2-yloxypentanoate?
The canonical SMILES for ethyl (2R)-4-methyl-2-propan-2-yloxypentanoate is CCOC(=O)[C@@H](CC(C)C)OC(C)C.
What is the InChIKey of ethyl (2R)-4-methyl-2-propan-2-yloxypentanoate?
The InChIKey is IBXRLSOCINHTJT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22O3/c1-6-13-11(12)10(7-8(2)3)14-9(4)5/h8-10H,6-7H2,1-5H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-4-methyl-2-propan-2-yloxypentanoate?
ethyl (2R)-4-methyl-2-propan-2-yloxypentanoate has a molecular weight of 202.29 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-4-methyl-2-propan-2-yloxypentanoate is sourced from PubChem (CID 89114303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).