methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate

C10H18O4 — CID 11195022

IUPACmethyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
SMILESCOC(=O)[C@@H](C)COC1CCCCO1
InChIInChI=1S/C10H18O4/c1-8(10(11)12-2)7-14-9-5-3-4-6-13-9/h8-9H,3-7H2,1-2H3/t8-,9?/m0/s1
InChIKeyLDQFGTRJWJHKMF-IENPIDJESA-N
MW202.25 g/mol
LogP1.34
Rot. Bonds4

About methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate

methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate (PubChem CID 11195022) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
PubChem CID11195022
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namemethyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
SMILESCOC(=O)[C@@H](C)COC1CCCCO1
InChIInChI=1S/C10H18O4/c1-8(10(11)12-2)7-14-9-5-3-4-6-13-9/h8-9H,3-7H2,1-2H3/t8-,9?/m0/s1
InChIKeyLDQFGTRJWJHKMF-IENPIDJESA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
methyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride
CID 91978788
methyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxan-2-yloxy)propanoate
CID 11315644
(6S)-6-methyl-7-(oxan-2-yloxy)heptan-2-one
CID 11622725
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481
1-(oxolan-2-yloxy)propan-2-ol
CID 172822303
2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane
CID 10870601
3-methyl-4-(oxan-2-yloxy)butanal
CID 58732523
4-[(2S)-1-(oxan-2-yloxy)propan-2-yl]oxy-4-oxobutanoic acid
CID 134236426
2-[(2R)-2-methylpentoxy]oxane
CID 57327472
2-[(2R)-4-iodo-2-methylbutoxy]oxane
CID 11779415
2-(4-bromo-2,3-dimethylbutoxy)oxane
CID 14731941

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate?
The IUPAC name of methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate (CID 11195022) is methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate.
What is the SMILES notation for methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate?
The canonical SMILES for methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate is COC(=O)[C@@H](C)COC1CCCCO1.
What is the InChIKey of methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate?
The InChIKey is LDQFGTRJWJHKMF-IENPIDJESA-N. The full InChI is InChI=1S/C10H18O4/c1-8(10(11)12-2)7-14-9-5-3-4-6-13-9/h8-9H,3-7H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate?
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate has a molecular weight of 202.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate is sourced from PubChem (CID 11195022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).