(2R,3S,4R)-3,4-dimethoxy-2-(methoxymethyl)-3,4-dihydro-2H-pyran

C9H16O4 — CID 11252452

IUPAC(2R,3S,4R)-3,4-dimethoxy-2-(methoxymethyl)-3,4-dihydro-2H-pyran
SMILESCOC[C@H]1OC=C[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C9H16O4/c1-10-6-8-9(12-3)7(11-2)4-5-13-8/h4-5,7-9H,6H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyPZJPNKKRMNFDQJ-HLTSFMKQSA-N
MW188.22 g/mol
LogP0.58
Rot. Bonds4

About (2R,3S,4R)-3,4-dimethoxy-2-(methoxymethyl)-3,4-dihydro-2H-pyran

(2R,3S,4R)-3,4-dimethoxy-2-(methoxymethyl)-3,4-dihydro-2H-pyran (PubChem CID 11252452) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is (2R,3S,4R)-3,4-dimethoxy-2-(methoxymethyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,3S,4R)-3,4-dimethoxy-2-(methoxymethyl)-3,4-dihydro-2H-pyran
PubChem CID11252452
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name(2R,3S,4R)-3,4-dimethoxy-2-(methoxymethyl)-3,4-dihydro-2H-pyran
SMILESCOC[C@H]1OC=C[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C9H16O4/c1-10-6-8-9(12-3)7(11-2)4-5-13-8/h4-5,7-9H,6H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyPZJPNKKRMNFDQJ-HLTSFMKQSA-N
XLogP0.58
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-3,4-dimethoxy-2-(methoxymethyl)-3,4-dihydro-2H-pyran?
The IUPAC name of (2R,3S,4R)-3,4-dimethoxy-2-(methoxymethyl)-3,4-dihydro-2H-pyran (CID 11252452) is (2R,3S,4R)-3,4-dimethoxy-2-(methoxymethyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2R,3S,4R)-3,4-dimethoxy-2-(methoxymethyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for (2R,3S,4R)-3,4-dimethoxy-2-(methoxymethyl)-3,4-dihydro-2H-pyran is COC[C@H]1OC=C[C@@H](OC)[C@@H]1OC.
What is the InChIKey of (2R,3S,4R)-3,4-dimethoxy-2-(methoxymethyl)-3,4-dihydro-2H-pyran?
The InChIKey is PZJPNKKRMNFDQJ-HLTSFMKQSA-N. The full InChI is InChI=1S/C9H16O4/c1-10-6-8-9(12-3)7(11-2)4-5-13-8/h4-5,7-9H,6H2,1-3H3/t7-,8-,9+/m1/s1.
What are the key properties of (2R,3S,4R)-3,4-dimethoxy-2-(methoxymethyl)-3,4-dihydro-2H-pyran?
(2R,3S,4R)-3,4-dimethoxy-2-(methoxymethyl)-3,4-dihydro-2H-pyran has a molecular weight of 188.22 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-3,4-dimethoxy-2-(methoxymethyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 11252452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).