(2S,3R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol

C11H18O3 — CID 11424169

IUPAC(2S,3R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol
SMILESC=C[C@H](OC)[C@H]1OC(O)C(C)=C[C@H]1C
InChIInChI=1S/C11H18O3/c1-5-9(13-4)10-7(2)6-8(3)11(12)14-10/h5-7,9-12H,1H2,2-4H3/t7-,9+,10+,11?/m1/s1
InChIKeyTVBPXIWCELZBSL-YDQXZVTASA-N
MW198.26 g/mol
LogP1.49
Rot. Bonds3

About (2S,3R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol

(2S,3R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol (PubChem CID 11424169) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (2S,3R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name(2S,3R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol
PubChem CID11424169
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(2S,3R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol
SMILESC=C[C@H](OC)[C@H]1OC(O)C(C)=C[C@H]1C
InChIInChI=1S/C11H18O3/c1-5-9(13-4)10-7(2)6-8(3)11(12)14-10/h5-7,9-12H,1H2,2-4H3/t7-,9+,10+,11?/m1/s1
InChIKeyTVBPXIWCELZBSL-YDQXZVTASA-N
XLogP1.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of (2S,3R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol (CID 11424169) is (2S,3R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for (2S,3R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for (2S,3R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol is C=C[C@H](OC)[C@H]1OC(O)C(C)=C[C@H]1C.
What is the InChIKey of (2S,3R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is TVBPXIWCELZBSL-YDQXZVTASA-N. The full InChI is InChI=1S/C11H18O3/c1-5-9(13-4)10-7(2)6-8(3)11(12)14-10/h5-7,9-12H,1H2,2-4H3/t7-,9+,10+,11?/m1/s1.
What are the key properties of (2S,3R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol?
(2S,3R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 198.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 11424169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).