methyl 2-methyl-2-[(2R,5S)-5-methyloxolan-2-yl]propanoate

C10H18O3 — CID 25259468

IUPACmethyl 2-methyl-2-[(2R,5S)-5-methyloxolan-2-yl]propanoate
SMILESCOC(=O)C(C)(C)[C@H]1CC[C@H](C)O1
InChIInChI=1S/C10H18O3/c1-7-5-6-8(13-7)10(2,3)9(11)12-4/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyKHRFXFSMQLHHBK-JGVFFNPUSA-N
MW186.25 g/mol
LogP1.75
Rot. Bonds2

About methyl 2-methyl-2-[(2R,5S)-5-methyloxolan-2-yl]propanoate

methyl 2-methyl-2-[(2R,5S)-5-methyloxolan-2-yl]propanoate (PubChem CID 25259468) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 2-methyl-2-[(2R,5S)-5-methyloxolan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(2R,5S)-5-methyloxolan-2-yl]propanoate
PubChem CID25259468
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namemethyl 2-methyl-2-[(2R,5S)-5-methyloxolan-2-yl]propanoate
SMILESCOC(=O)C(C)(C)[C@H]1CC[C@H](C)O1
InChIInChI=1S/C10H18O3/c1-7-5-6-8(13-7)10(2,3)9(11)12-4/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyKHRFXFSMQLHHBK-JGVFFNPUSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(2R,5S)-5-methyloxolan-2-yl]propanoate?
The IUPAC name of methyl 2-methyl-2-[(2R,5S)-5-methyloxolan-2-yl]propanoate (CID 25259468) is methyl 2-methyl-2-[(2R,5S)-5-methyloxolan-2-yl]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[(2R,5S)-5-methyloxolan-2-yl]propanoate?
The canonical SMILES for methyl 2-methyl-2-[(2R,5S)-5-methyloxolan-2-yl]propanoate is COC(=O)C(C)(C)[C@H]1CC[C@H](C)O1.
What is the InChIKey of methyl 2-methyl-2-[(2R,5S)-5-methyloxolan-2-yl]propanoate?
The InChIKey is KHRFXFSMQLHHBK-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H18O3/c1-7-5-6-8(13-7)10(2,3)9(11)12-4/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of methyl 2-methyl-2-[(2R,5S)-5-methyloxolan-2-yl]propanoate?
methyl 2-methyl-2-[(2R,5S)-5-methyloxolan-2-yl]propanoate has a molecular weight of 186.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(2R,5S)-5-methyloxolan-2-yl]propanoate is sourced from PubChem (CID 25259468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).