[(2R,3S)-3-acetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate

C10H14O5 — CID 11378889

IUPAC[(2R,3S)-3-acetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC=CC[C@@H]1OC(C)=O
InChIInChI=1S/C10H14O5/c1-7(11)14-6-10-9(15-8(2)12)4-3-5-13-10/h3,5,9-10H,4,6H2,1-2H3/t9-,10+/m0/s1
InChIKeyNTLVLGUBCALQFC-VHSXEESVSA-N
MW214.22 g/mol
LogP0.78
Rot. Bonds3

About [(2R,3S)-3-acetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate

[(2R,3S)-3-acetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 11378889) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is [(2R,3S)-3-acetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S)-3-acetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID11378889
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name[(2R,3S)-3-acetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC=CC[C@@H]1OC(C)=O
InChIInChI=1S/C10H14O5/c1-7(11)14-6-10-9(15-8(2)12)4-3-5-13-10/h3,5,9-10H,4,6H2,1-2H3/t9-,10+/m0/s1
InChIKeyNTLVLGUBCALQFC-VHSXEESVSA-N
XLogP0.78
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-acetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3S)-3-acetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate (CID 11378889) is [(2R,3S)-3-acetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S)-3-acetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S)-3-acetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate is CC(=O)OC[C@H]1OC=CC[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3S)-3-acetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is NTLVLGUBCALQFC-VHSXEESVSA-N. The full InChI is InChI=1S/C10H14O5/c1-7(11)14-6-10-9(15-8(2)12)4-3-5-13-10/h3,5,9-10H,4,6H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of [(2R,3S)-3-acetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
[(2R,3S)-3-acetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 214.22 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-acetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 11378889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).