methyl (2S,4S,5R)-6-[(2R,3R)-3-hydroxypentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate

C15H28O5 — CID 58083950

IUPACmethyl (2S,4S,5R)-6-[(2R,3R)-3-hydroxypentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate
SMILESCC[C@@H](O)[C@@H](C)C1O[C@](OC)(C(=O)OC)C[C@H](C)[C@H]1C
InChIInChI=1S/C15H28O5/c1-7-12(16)11(4)13-10(3)9(2)8-15(19-6,20-13)14(17)18-5/h9-13,16H,7-8H2,1-6H3/t9-,10+,11+,12+,13?,15-/m0/s1
InChIKeyNRVLZXHTOBIBHB-RLMQEAODSA-N
MW288.38 g/mol
LogP1.97
Rot. Bonds5

About methyl (2S,4S,5R)-6-[(2R,3R)-3-hydroxypentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate

methyl (2S,4S,5R)-6-[(2R,3R)-3-hydroxypentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate (PubChem CID 58083950) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is methyl (2S,4S,5R)-6-[(2R,3R)-3-hydroxypentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S,5R)-6-[(2R,3R)-3-hydroxypentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate
PubChem CID58083950
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Namemethyl (2S,4S,5R)-6-[(2R,3R)-3-hydroxypentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate
SMILESCC[C@@H](O)[C@@H](C)C1O[C@](OC)(C(=O)OC)C[C@H](C)[C@H]1C
InChIInChI=1S/C15H28O5/c1-7-12(16)11(4)13-10(3)9(2)8-15(19-6,20-13)14(17)18-5/h9-13,16H,7-8H2,1-6H3/t9-,10+,11+,12+,13?,15-/m0/s1
InChIKeyNRVLZXHTOBIBHB-RLMQEAODSA-N
XLogP1.97
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S,4S,5R)-6-[(2R,3R)-3-hydroxypentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S,5R)-6-[(2R,3R)-3-hydroxypentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate?
The IUPAC name of methyl (2S,4S,5R)-6-[(2R,3R)-3-hydroxypentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate (CID 58083950) is methyl (2S,4S,5R)-6-[(2R,3R)-3-hydroxypentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate.
What is the SMILES notation for methyl (2S,4S,5R)-6-[(2R,3R)-3-hydroxypentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate?
The canonical SMILES for methyl (2S,4S,5R)-6-[(2R,3R)-3-hydroxypentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate is CC[C@@H](O)[C@@H](C)C1O[C@](OC)(C(=O)OC)C[C@H](C)[C@H]1C.
What is the InChIKey of methyl (2S,4S,5R)-6-[(2R,3R)-3-hydroxypentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate?
The InChIKey is NRVLZXHTOBIBHB-RLMQEAODSA-N. The full InChI is InChI=1S/C15H28O5/c1-7-12(16)11(4)13-10(3)9(2)8-15(19-6,20-13)14(17)18-5/h9-13,16H,7-8H2,1-6H3/t9-,10+,11+,12+,13?,15-/m0/s1.
What are the key properties of methyl (2S,4S,5R)-6-[(2R,3R)-3-hydroxypentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate?
methyl (2S,4S,5R)-6-[(2R,3R)-3-hydroxypentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate has a molecular weight of 288.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S,5R)-6-[(2R,3R)-3-hydroxypentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate is sourced from PubChem (CID 58083950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).