(2S,4R)-6-ethenyl-2,4-dimethoxy-3,4-dihydro-2H-pyran

C9H14O3 — CID 14679088

IUPAC(2S,4R)-6-ethenyl-2,4-dimethoxy-3,4-dihydro-2H-pyran
SMILESC=CC1=C[C@H](OC)C[C@@H](OC)O1
InChIInChI=1S/C9H14O3/c1-4-7-5-8(10-2)6-9(11-3)12-7/h4-5,8-9H,1,6H2,2-3H3/t8-,9-/m0/s1
InChIKeyAJCYWVBXMAIZHM-IUCAKERBSA-N
MW170.21 g/mol
LogP1.46
Rot. Bonds3

About (2S,4R)-6-ethenyl-2,4-dimethoxy-3,4-dihydro-2H-pyran

(2S,4R)-6-ethenyl-2,4-dimethoxy-3,4-dihydro-2H-pyran (PubChem CID 14679088) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2S,4R)-6-ethenyl-2,4-dimethoxy-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,4R)-6-ethenyl-2,4-dimethoxy-3,4-dihydro-2H-pyran
PubChem CID14679088
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(2S,4R)-6-ethenyl-2,4-dimethoxy-3,4-dihydro-2H-pyran
SMILESC=CC1=C[C@H](OC)C[C@@H](OC)O1
InChIInChI=1S/C9H14O3/c1-4-7-5-8(10-2)6-9(11-3)12-7/h4-5,8-9H,1,6H2,2-3H3/t8-,9-/m0/s1
InChIKeyAJCYWVBXMAIZHM-IUCAKERBSA-N
XLogP1.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-6-ethenyl-2,4-dimethoxy-3,4-dihydro-2H-pyran?
The IUPAC name of (2S,4R)-6-ethenyl-2,4-dimethoxy-3,4-dihydro-2H-pyran (CID 14679088) is (2S,4R)-6-ethenyl-2,4-dimethoxy-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2S,4R)-6-ethenyl-2,4-dimethoxy-3,4-dihydro-2H-pyran?
The canonical SMILES for (2S,4R)-6-ethenyl-2,4-dimethoxy-3,4-dihydro-2H-pyran is C=CC1=C[C@H](OC)C[C@@H](OC)O1.
What is the InChIKey of (2S,4R)-6-ethenyl-2,4-dimethoxy-3,4-dihydro-2H-pyran?
The InChIKey is AJCYWVBXMAIZHM-IUCAKERBSA-N. The full InChI is InChI=1S/C9H14O3/c1-4-7-5-8(10-2)6-9(11-3)12-7/h4-5,8-9H,1,6H2,2-3H3/t8-,9-/m0/s1.
What are the key properties of (2S,4R)-6-ethenyl-2,4-dimethoxy-3,4-dihydro-2H-pyran?
(2S,4R)-6-ethenyl-2,4-dimethoxy-3,4-dihydro-2H-pyran has a molecular weight of 170.21 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-6-ethenyl-2,4-dimethoxy-3,4-dihydro-2H-pyran is sourced from PubChem (CID 14679088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).