[(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate

C11H18O4 — CID 53323131

IUPAC[(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate
SMILESCCCO[C@H]1C=C[C@@H](OC(C)=O)[C@H](C)O1
InChIInChI=1S/C11H18O4/c1-4-7-13-11-6-5-10(8(2)14-11)15-9(3)12/h5-6,8,10-11H,4,7H2,1-3H3/t8-,10+,11+/m0/s1
InChIKeySIUONRCEQSWEOO-JMJZKYOTSA-N
MW214.26 g/mol
LogP1.65
Rot. Bonds4

About [(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate

[(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate (PubChem CID 53323131) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is [(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate
PubChem CID53323131
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name[(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate
SMILESCCCO[C@H]1C=C[C@@H](OC(C)=O)[C@H](C)O1
InChIInChI=1S/C11H18O4/c1-4-7-13-11-6-5-10(8(2)14-11)15-9(3)12/h5-6,8,10-11H,4,7H2,1-3H3/t8-,10+,11+/m0/s1
InChIKeySIUONRCEQSWEOO-JMJZKYOTSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate?
The IUPAC name of [(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate (CID 53323131) is [(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate.
What is the SMILES notation for [(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate?
The canonical SMILES for [(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate is CCCO[C@H]1C=C[C@@H](OC(C)=O)[C@H](C)O1.
What is the InChIKey of [(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate?
The InChIKey is SIUONRCEQSWEOO-JMJZKYOTSA-N. The full InChI is InChI=1S/C11H18O4/c1-4-7-13-11-6-5-10(8(2)14-11)15-9(3)12/h5-6,8,10-11H,4,7H2,1-3H3/t8-,10+,11+/m0/s1.
What are the key properties of [(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate?
[(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate has a molecular weight of 214.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate is sourced from PubChem (CID 53323131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).