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

C10H16O4 — CID 14679095

IUPAC(2S,3R,4S)-6-ethenyl-2,3,4-trimethoxy-3,4-dihydro-2H-pyran
SMILESC=CC1=C[C@H](OC)[C@@H](OC)[C@@H](OC)O1
InChIInChI=1S/C10H16O4/c1-5-7-6-8(11-2)9(12-3)10(13-4)14-7/h5-6,8-10H,1H2,2-4H3/t8-,9+,10-/m0/s1
InChIKeyGDTGJQKLBHKBRN-AEJSXWLSSA-N
MW200.23 g/mol
LogP1.09
Rot. Bonds4

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

(2S,3R,4S)-6-ethenyl-2,3,4-trimethoxy-3,4-dihydro-2H-pyran (PubChem CID 14679095) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2S,3R,4S)-6-ethenyl-2,3,4-trimethoxy-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,3R,4S)-6-ethenyl-2,3,4-trimethoxy-3,4-dihydro-2H-pyran
PubChem CID14679095
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2S,3R,4S)-6-ethenyl-2,3,4-trimethoxy-3,4-dihydro-2H-pyran
SMILESC=CC1=C[C@H](OC)[C@@H](OC)[C@@H](OC)O1
InChIInChI=1S/C10H16O4/c1-5-7-6-8(11-2)9(12-3)10(13-4)14-7/h5-6,8-10H,1H2,2-4H3/t8-,9+,10-/m0/s1
InChIKeyGDTGJQKLBHKBRN-AEJSXWLSSA-N
XLogP1.09
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-6-ethenyl-2,3,4-trimethoxy-3,4-dihydro-2H-pyran?
The IUPAC name of (2S,3R,4S)-6-ethenyl-2,3,4-trimethoxy-3,4-dihydro-2H-pyran (CID 14679095) is (2S,3R,4S)-6-ethenyl-2,3,4-trimethoxy-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2S,3R,4S)-6-ethenyl-2,3,4-trimethoxy-3,4-dihydro-2H-pyran?
The canonical SMILES for (2S,3R,4S)-6-ethenyl-2,3,4-trimethoxy-3,4-dihydro-2H-pyran is C=CC1=C[C@H](OC)[C@@H](OC)[C@@H](OC)O1.
What is the InChIKey of (2S,3R,4S)-6-ethenyl-2,3,4-trimethoxy-3,4-dihydro-2H-pyran?
The InChIKey is GDTGJQKLBHKBRN-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-7-6-8(11-2)9(12-3)10(13-4)14-7/h5-6,8-10H,1H2,2-4H3/t8-,9+,10-/m0/s1.
What are the key properties of (2S,3R,4S)-6-ethenyl-2,3,4-trimethoxy-3,4-dihydro-2H-pyran?
(2S,3R,4S)-6-ethenyl-2,3,4-trimethoxy-3,4-dihydro-2H-pyran has a molecular weight of 200.23 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-6-ethenyl-2,3,4-trimethoxy-3,4-dihydro-2H-pyran is sourced from PubChem (CID 14679095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).