[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate

C14H24O5 — CID 59916248

IUPAC[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESC=CC[C@H]1O[C@@H](COC(=O)C(C)(C)C)[C@H](O)[C@H]1OC
InChIInChI=1S/C14H24O5/c1-6-7-9-12(17-5)11(15)10(19-9)8-18-13(16)14(2,3)4/h6,9-12,15H,1,7-8H2,2-5H3/t9-,10+,11+,12+/m1/s1
InChIKeyOLSKAYGDXOGACM-RHYQMDGZSA-N
MW272.34 g/mol
LogP1.30
Rot. Bonds5

About [(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate

[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 59916248) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is [(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID59916248
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESC=CC[C@H]1O[C@@H](COC(=O)C(C)(C)C)[C@H](O)[C@H]1OC
InChIInChI=1S/C14H24O5/c1-6-7-9-12(17-5)11(15)10(19-9)8-18-13(16)14(2,3)4/h6,9-12,15H,1,7-8H2,2-5H3/t9-,10+,11+,12+/m1/s1
InChIKeyOLSKAYGDXOGACM-RHYQMDGZSA-N
XLogP1.30
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate (CID 59916248) is [(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate is C=CC[C@H]1O[C@@H](COC(=O)C(C)(C)C)[C@H](O)[C@H]1OC.
What is the InChIKey of [(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is OLSKAYGDXOGACM-RHYQMDGZSA-N. The full InChI is InChI=1S/C14H24O5/c1-6-7-9-12(17-5)11(15)10(19-9)8-18-13(16)14(2,3)4/h6,9-12,15H,1,7-8H2,2-5H3/t9-,10+,11+,12+/m1/s1.
What are the key properties of [(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate?
[(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 272.34 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R,5R)-3-hydroxy-4-methoxy-5-prop-2-enyloxolan-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 59916248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).