methyl (2S)-2-[(2R)-5-(2-methylpropyl)oxolan-2-yl]propanoate

C12H22O3 — CID 13244826

IUPACmethyl (2S)-2-[(2R)-5-(2-methylpropyl)oxolan-2-yl]propanoate
SMILESCOC(=O)[C@@H](C)[C@H]1CCC(CC(C)C)O1
InChIInChI=1S/C12H22O3/c1-8(2)7-10-5-6-11(15-10)9(3)12(13)14-4/h8-11H,5-7H2,1-4H3/t9-,10?,11+/m0/s1
InChIKeyWNWXMFHFTZJAQV-KHUXNXPUSA-N
MW214.31 g/mol
LogP2.39
Rot. Bonds4

About methyl (2S)-2-[(2R)-5-(2-methylpropyl)oxolan-2-yl]propanoate

methyl (2S)-2-[(2R)-5-(2-methylpropyl)oxolan-2-yl]propanoate (PubChem CID 13244826) has the molecular formula C12H22O3 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl (2S)-2-[(2R)-5-(2-methylpropyl)oxolan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2R)-5-(2-methylpropyl)oxolan-2-yl]propanoate
PubChem CID13244826
Molecular FormulaC12H22O3
Molecular Weight214.31 g/mol
Exact Mass214.16
IUPAC Namemethyl (2S)-2-[(2R)-5-(2-methylpropyl)oxolan-2-yl]propanoate
SMILESCOC(=O)[C@@H](C)[C@H]1CCC(CC(C)C)O1
InChIInChI=1S/C12H22O3/c1-8(2)7-10-5-6-11(15-10)9(3)12(13)14-4/h8-11H,5-7H2,1-4H3/t9-,10?,11+/m0/s1
InChIKeyWNWXMFHFTZJAQV-KHUXNXPUSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2R)-5-(2-methylpropyl)oxolan-2-yl]propanoate?
The IUPAC name of methyl (2S)-2-[(2R)-5-(2-methylpropyl)oxolan-2-yl]propanoate (CID 13244826) is methyl (2S)-2-[(2R)-5-(2-methylpropyl)oxolan-2-yl]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2R)-5-(2-methylpropyl)oxolan-2-yl]propanoate?
The canonical SMILES for methyl (2S)-2-[(2R)-5-(2-methylpropyl)oxolan-2-yl]propanoate is COC(=O)[C@@H](C)[C@H]1CCC(CC(C)C)O1.
What is the InChIKey of methyl (2S)-2-[(2R)-5-(2-methylpropyl)oxolan-2-yl]propanoate?
The InChIKey is WNWXMFHFTZJAQV-KHUXNXPUSA-N. The full InChI is InChI=1S/C12H22O3/c1-8(2)7-10-5-6-11(15-10)9(3)12(13)14-4/h8-11H,5-7H2,1-4H3/t9-,10?,11+/m0/s1.
What are the key properties of methyl (2S)-2-[(2R)-5-(2-methylpropyl)oxolan-2-yl]propanoate?
methyl (2S)-2-[(2R)-5-(2-methylpropyl)oxolan-2-yl]propanoate has a molecular weight of 214.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2R)-5-(2-methylpropyl)oxolan-2-yl]propanoate is sourced from PubChem (CID 13244826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).