[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate

C10H16O4 — CID 153317793

IUPAC[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate
SMILESC=CCOC(=O)[C@H](C)OC(=O)C(C)C
InChIInChI=1S/C10H16O4/c1-5-6-13-10(12)8(4)14-9(11)7(2)3/h5,7-8H,1,6H2,2-4H3/t8-/m0/s1
InChIKeyRLKHBZDTFKAWAM-QMMMGPOBSA-N
MW200.23 g/mol
LogP1.30
Rot. Bonds5

About [(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate

[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate (PubChem CID 153317793) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is [(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate
PubChem CID153317793
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate
SMILESC=CCOC(=O)[C@H](C)OC(=O)C(C)C
InChIInChI=1S/C10H16O4/c1-5-6-13-10(12)8(4)14-9(11)7(2)3/h5,7-8H,1,6H2,2-4H3/t8-/m0/s1
InChIKeyRLKHBZDTFKAWAM-QMMMGPOBSA-N
XLogP1.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] (2R)-2,3-dimethylbutanoate
CID 163608952
prop-2-enyl 2-aminopropanoate
CID 91515395
ethane;propane;prop-2-enyl 2-methylpropanoate
CID 158123161
CID 58877383
CID 58877383
prop-2-enyl 2-methylpent-4-enoate
CID 59817388
[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium chloride
CID 10877479
prop-2-enyl (2S)-3-amino-2-methylpropanoate
CID 59815575
2-methylpropyl prop-2-enyl carbonate
CID 6420250
bis(prop-2-enyl) 2-hydroxypropanedioate
CID 14329928
but-3-yn-2-yl prop-2-enyl carbonate
CID 100927907
prop-2-enyl 2-methyl-3-oxopentanoate
CID 11805176
prop-2-enyl 2-hydroxy-4-methylpentanoate
CID 18724155

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate?
The IUPAC name of [(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate (CID 153317793) is [(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate.
What is the SMILES notation for [(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate?
The canonical SMILES for [(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate is C=CCOC(=O)[C@H](C)OC(=O)C(C)C.
What is the InChIKey of [(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate?
The InChIKey is RLKHBZDTFKAWAM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-6-13-10(12)8(4)14-9(11)7(2)3/h5,7-8H,1,6H2,2-4H3/t8-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate?
[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate has a molecular weight of 200.23 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate is sourced from PubChem (CID 153317793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).