[(1S)-2-oxocyclohexyl] (2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoate

C15H24O5 — CID 124731148

IUPAC[(1S)-2-oxocyclohexyl] (2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoate
SMILESC[C@H](OC[C@H]1CCCCO1)C(=O)O[C@H]1CCCCC1=O
InChIInChI=1S/C15H24O5/c1-11(19-10-12-6-4-5-9-18-12)15(17)20-14-8-3-2-7-13(14)16/h11-12,14H,2-10H2,1H3/t11-,12+,14-/m0/s1
InChIKeyIQBZWVTYCAPMDW-SCRDCRAPSA-N
MW284.35 g/mol
LogP2.02
Rot. Bonds5

About [(1S)-2-oxocyclohexyl] (2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoate

[(1S)-2-oxocyclohexyl] (2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoate (PubChem CID 124731148) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is [(1S)-2-oxocyclohexyl] (2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoate.

Molecular Properties

Compound Name[(1S)-2-oxocyclohexyl] (2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoate
PubChem CID124731148
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name[(1S)-2-oxocyclohexyl] (2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoate
SMILESC[C@H](OC[C@H]1CCCCO1)C(=O)O[C@H]1CCCCC1=O
InChIInChI=1S/C15H24O5/c1-11(19-10-12-6-4-5-9-18-12)15(17)20-14-8-3-2-7-13(14)16/h11-12,14H,2-10H2,1H3/t11-,12+,14-/m0/s1
InChIKeyIQBZWVTYCAPMDW-SCRDCRAPSA-N
XLogP2.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1S)-2-oxocyclohexyl] (2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoate with MolForge

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Related Compounds

1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one
CID 43798905
1-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 68624351
1-[2-(oxan-2-ylmethoxy)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 119169175
1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one
CID 43798954
N-(1-amino-2-methylpropan-2-yl)-2-(oxan-2-ylmethoxy)propanamide;hydrochloride
CID 119525083
(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601
2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid
CID 125152183
oxan-2-ylmethyl 2-methylbutanoate
CID 78836820
(3R)-3-(oxolan-2-ylmethoxy)butanoic acid
CID 103547787
(2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 124835398
1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride
CID 119381744
(2S)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]propan-1-one
CID 129427663

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxocyclohexyl] (2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoate?
The IUPAC name of [(1S)-2-oxocyclohexyl] (2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoate (CID 124731148) is [(1S)-2-oxocyclohexyl] (2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoate.
What is the SMILES notation for [(1S)-2-oxocyclohexyl] (2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoate?
The canonical SMILES for [(1S)-2-oxocyclohexyl] (2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoate is C[C@H](OC[C@H]1CCCCO1)C(=O)O[C@H]1CCCCC1=O.
What is the InChIKey of [(1S)-2-oxocyclohexyl] (2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoate?
The InChIKey is IQBZWVTYCAPMDW-SCRDCRAPSA-N. The full InChI is InChI=1S/C15H24O5/c1-11(19-10-12-6-4-5-9-18-12)15(17)20-14-8-3-2-7-13(14)16/h11-12,14H,2-10H2,1H3/t11-,12+,14-/m0/s1.
What are the key properties of [(1S)-2-oxocyclohexyl] (2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoate?
[(1S)-2-oxocyclohexyl] (2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoate has a molecular weight of 284.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxocyclohexyl] (2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoate is sourced from PubChem (CID 124731148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).