methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate

C11H20O4 — CID 11746035

IUPACmethyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate
SMILESCOC(=O)CC[C@H](C)O[C@H]1CCCCO1
InChIInChI=1S/C11H20O4/c1-9(6-7-10(12)13-2)15-11-5-3-4-8-14-11/h9,11H,3-8H2,1-2H3/t9-,11-/m0/s1
InChIKeyZHBQGCFKTNTROM-ONGXEEELSA-N
MW216.28 g/mol
LogP1.87
Rot. Bonds5

About methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate

methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate (PubChem CID 11746035) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate.

Molecular Properties

Compound Namemethyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate
PubChem CID11746035
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namemethyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate
SMILESCOC(=O)CC[C@H](C)O[C@H]1CCCCO1
InChIInChI=1S/C11H20O4/c1-9(6-7-10(12)13-2)15-11-5-3-4-8-14-11/h9,11H,3-8H2,1-2H3/t9-,11-/m0/s1
InChIKeyZHBQGCFKTNTROM-ONGXEEELSA-N
XLogP1.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-7-(oxan-2-yloxy)-4-oxooct-2-enoic acid
CID 10634810
methyl (4S)-4-[(2R,6R)-6-tert-butyloxan-2-yl]oxypentanoate
CID 11054818
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
3-(oxan-2-yloxy)butanoic acid
CID 14279636
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
methyl 3-[(Z)-13-(oxolan-2-yloxy)tetradec-5-enyl]sulfanylpropanoate
CID 175427228
(10R)-1,10-bis(oxan-2-yloxy)undecan-6-one
CID 71407763
methyl (5R)-5-(oxan-2-yloxy)-5-phenylpentanoate
CID 135016792
methyl (E,11R)-11-(oxan-2-yloxy)dodec-2-enoate
CID 10638872
ethyl 5-(oxan-2-yloxy)-3-oxohexanoate
CID 14279639
2-butan-2-yloxyoxane
CID 559028
2-[(2S)-5-chloropentan-2-yl]oxyoxane
CID 10750818

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate?
The IUPAC name of methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate (CID 11746035) is methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate.
What is the SMILES notation for methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate?
The canonical SMILES for methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate is COC(=O)CC[C@H](C)O[C@H]1CCCCO1.
What is the InChIKey of methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate?
The InChIKey is ZHBQGCFKTNTROM-ONGXEEELSA-N. The full InChI is InChI=1S/C11H20O4/c1-9(6-7-10(12)13-2)15-11-5-3-4-8-14-11/h9,11H,3-8H2,1-2H3/t9-,11-/m0/s1.
What are the key properties of methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate?
methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate has a molecular weight of 216.28 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate is sourced from PubChem (CID 11746035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).