[(2S,3R,6R)-6-methyl-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate

C10H17NO4 — CID 10536622

IUPAC[(2S,3R,6R)-6-methyl-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate
SMILESCC(C)O[C@H]1O[C@H](C)C=C[C@H]1OC(N)=O
InChIInChI=1S/C10H17NO4/c1-6(2)13-9-8(15-10(11)12)5-4-7(3)14-9/h4-9H,1-3H3,(H2,11,12)/t7-,8-,9+/m1/s1
InChIKeyCKEFFMTUPILIEJ-HLTSFMKQSA-N
MW215.25 g/mol
LogP1.18
Rot. Bonds3

About [(2S,3R,6R)-6-methyl-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate

[(2S,3R,6R)-6-methyl-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate (PubChem CID 10536622) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is [(2S,3R,6R)-6-methyl-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate.

Molecular Properties

Compound Name[(2S,3R,6R)-6-methyl-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate
PubChem CID10536622
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name[(2S,3R,6R)-6-methyl-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate
SMILESCC(C)O[C@H]1O[C@H](C)C=C[C@H]1OC(N)=O
InChIInChI=1S/C10H17NO4/c1-6(2)13-9-8(15-10(11)12)5-4-7(3)14-9/h4-9H,1-3H3,(H2,11,12)/t7-,8-,9+/m1/s1
InChIKeyCKEFFMTUPILIEJ-HLTSFMKQSA-N
XLogP1.18
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
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)-6-methyl-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate?
The IUPAC name of [(2S,3R,6R)-6-methyl-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate (CID 10536622) is [(2S,3R,6R)-6-methyl-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate.
What is the SMILES notation for [(2S,3R,6R)-6-methyl-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate?
The canonical SMILES for [(2S,3R,6R)-6-methyl-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate is CC(C)O[C@H]1O[C@H](C)C=C[C@H]1OC(N)=O.
What is the InChIKey of [(2S,3R,6R)-6-methyl-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate?
The InChIKey is CKEFFMTUPILIEJ-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6(2)13-9-8(15-10(11)12)5-4-7(3)14-9/h4-9H,1-3H3,(H2,11,12)/t7-,8-,9+/m1/s1.
What are the key properties of [(2S,3R,6R)-6-methyl-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate?
[(2S,3R,6R)-6-methyl-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate has a molecular weight of 215.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,6R)-6-methyl-2-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] carbamate is sourced from PubChem (CID 10536622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).