[(2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methyl acetate

C14H24O5 — CID 11208024

IUPAC[(2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methyl acetate
SMILESCO[C@]1(C)C[C@@H](OC(C)(C)C)C=C(COC(C)=O)O1
InChIInChI=1S/C14H24O5/c1-10(15)17-9-12-7-11(18-13(2,3)4)8-14(5,16-6)19-12/h7,11H,8-9H2,1-6H3/t11-,14-/m0/s1
InChIKeyZAPRBJSQYXEWCR-FZMZJTMJSA-N
MW272.34 g/mol
LogP2.40
Rot. Bonds4

About [(2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methyl acetate

[(2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methyl acetate (PubChem CID 11208024) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is [(2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methyl acetate.

Molecular Properties

Compound Name[(2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methyl acetate
PubChem CID11208024
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name[(2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methyl acetate
SMILESCO[C@]1(C)C[C@@H](OC(C)(C)C)C=C(COC(C)=O)O1
InChIInChI=1S/C14H24O5/c1-10(15)17-9-12-7-11(18-13(2,3)4)8-14(5,16-6)19-12/h7,11H,8-9H2,1-6H3/t11-,14-/m0/s1
InChIKeyZAPRBJSQYXEWCR-FZMZJTMJSA-N
XLogP2.40
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methyl acetate?
The IUPAC name of [(2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methyl acetate (CID 11208024) is [(2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methyl acetate.
What is the SMILES notation for [(2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methyl acetate?
The canonical SMILES for [(2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methyl acetate is CO[C@]1(C)C[C@@H](OC(C)(C)C)C=C(COC(C)=O)O1.
What is the InChIKey of [(2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methyl acetate?
The InChIKey is ZAPRBJSQYXEWCR-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H24O5/c1-10(15)17-9-12-7-11(18-13(2,3)4)8-14(5,16-6)19-12/h7,11H,8-9H2,1-6H3/t11-,14-/m0/s1.
What are the key properties of [(2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methyl acetate?
[(2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methyl acetate has a molecular weight of 272.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methyl acetate is sourced from PubChem (CID 11208024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).