(2R,3S,6R)-3-methoxy-2-(methoxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran

C11H18O3 — CID 101357027

IUPAC(2R,3S,6R)-3-methoxy-2-(methoxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CC[C@@H]1C=C[C@H](OC)[C@@H](COC)O1
InChIInChI=1S/C11H18O3/c1-4-5-9-6-7-10(13-3)11(14-9)8-12-2/h4,6-7,9-11H,1,5,8H2,2-3H3/t9-,10+,11-/m1/s1
InChIKeyZFACTHKWBICCGI-OUAUKWLOSA-N
MW198.26 g/mol
LogP1.55
Rot. Bonds5

About (2R,3S,6R)-3-methoxy-2-(methoxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran

(2R,3S,6R)-3-methoxy-2-(methoxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran (PubChem CID 101357027) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (2R,3S,6R)-3-methoxy-2-(methoxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,3S,6R)-3-methoxy-2-(methoxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran
PubChem CID101357027
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(2R,3S,6R)-3-methoxy-2-(methoxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CC[C@@H]1C=C[C@H](OC)[C@@H](COC)O1
InChIInChI=1S/C11H18O3/c1-4-5-9-6-7-10(13-3)11(14-9)8-12-2/h4,6-7,9-11H,1,5,8H2,2-3H3/t9-,10+,11-/m1/s1
InChIKeyZFACTHKWBICCGI-OUAUKWLOSA-N
XLogP1.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
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 (2R,3S,6R)-3-methoxy-2-(methoxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,3S,6R)-3-methoxy-2-(methoxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran (CID 101357027) is (2R,3S,6R)-3-methoxy-2-(methoxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,3S,6R)-3-methoxy-2-(methoxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,3S,6R)-3-methoxy-2-(methoxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran is C=CC[C@@H]1C=C[C@H](OC)[C@@H](COC)O1.
What is the InChIKey of (2R,3S,6R)-3-methoxy-2-(methoxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran?
The InChIKey is ZFACTHKWBICCGI-OUAUKWLOSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-5-9-6-7-10(13-3)11(14-9)8-12-2/h4,6-7,9-11H,1,5,8H2,2-3H3/t9-,10+,11-/m1/s1.
What are the key properties of (2R,3S,6R)-3-methoxy-2-(methoxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran?
(2R,3S,6R)-3-methoxy-2-(methoxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran has a molecular weight of 198.26 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-3-methoxy-2-(methoxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 101357027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).