ethyl (2R,3S)-2-propan-2-yloxane-3-carboxylate

C11H20O3 — CID 98010252

IUPACethyl (2R,3S)-2-propan-2-yloxane-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCO[C@@H]1C(C)C
InChIInChI=1S/C11H20O3/c1-4-13-11(12)9-6-5-7-14-10(9)8(2)3/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyWVYBVCQXRFKMOW-VHSXEESVSA-N
MW200.28 g/mol
LogP2.00
Rot. Bonds3

About ethyl (2R,3S)-2-propan-2-yloxane-3-carboxylate

ethyl (2R,3S)-2-propan-2-yloxane-3-carboxylate (PubChem CID 98010252) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl (2R,3S)-2-propan-2-yloxane-3-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S)-2-propan-2-yloxane-3-carboxylate
PubChem CID98010252
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl (2R,3S)-2-propan-2-yloxane-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCO[C@@H]1C(C)C
InChIInChI=1S/C11H20O3/c1-4-13-11(12)9-6-5-7-14-10(9)8(2)3/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyWVYBVCQXRFKMOW-VHSXEESVSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate
CID 89296898
ethyl (2S)-2-propan-2-ylcyclohexane-1-carboxylate
CID 58682733
ethyl 2-iodocyclohexane-1-carboxylate
CID 153229288
[(1S,2S)-2-ethoxycarbonylcyclohexyl]azanium
CID 6946484
ethyl 2-propan-2-ylpiperidine-3-carboxylate
CID 83855212
diethyl carbonate;2-methyloxolane
CID 174662331
ethyl 2-(4-iodophenyl)oxane-3-carboxylate
CID 90920875
ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
CID 1268212
trans-ethyl (1S,2S)-2-methylcyclohexane-1-carboxylate
CID 28766550
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634
cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
CID 101471525

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-2-propan-2-yloxane-3-carboxylate?
The IUPAC name of ethyl (2R,3S)-2-propan-2-yloxane-3-carboxylate (CID 98010252) is ethyl (2R,3S)-2-propan-2-yloxane-3-carboxylate.
What is the SMILES notation for ethyl (2R,3S)-2-propan-2-yloxane-3-carboxylate?
The canonical SMILES for ethyl (2R,3S)-2-propan-2-yloxane-3-carboxylate is CCOC(=O)[C@H]1CCCO[C@@H]1C(C)C.
What is the InChIKey of ethyl (2R,3S)-2-propan-2-yloxane-3-carboxylate?
The InChIKey is WVYBVCQXRFKMOW-VHSXEESVSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-13-11(12)9-6-5-7-14-10(9)8(2)3/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of ethyl (2R,3S)-2-propan-2-yloxane-3-carboxylate?
ethyl (2R,3S)-2-propan-2-yloxane-3-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-2-propan-2-yloxane-3-carboxylate is sourced from PubChem (CID 98010252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).