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

C22H34O5 — CID 89379571

IUPAC(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-6-[[(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-yl]oxy]-3,5-dimethyl-3,6-dihydro-2H-pyran
SMILESC=C[C@H](OC)[C@H]1O[C@H](O[C@H]2O[C@H]([C@H](C=C)OC)[C@H](C)C=C2C)C(C)=C[C@H]1C
InChIInChI=1S/C22H34O5/c1-9-17(23-7)19-13(3)11-15(5)21(25-19)27-22-16(6)12-14(4)20(26-22)18(10-2)24-8/h9-14,17-22H,1-2H2,3-8H3/t13-,14-,17+,18+,19+,20+,21-,22-/m1/s1
InChIKeyDSKHSXWYHFAEQZ-VQOXFBBASA-N
MW378.51 g/mol
LogP4.02
Rot. Bonds8

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

(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-6-[[(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-yl]oxy]-3,5-dimethyl-3,6-dihydro-2H-pyran (PubChem CID 89379571) has the molecular formula C22H34O5 and a molecular weight of 378.51 g/mol. Its IUPAC name is (2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-6-[[(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-yl]oxy]-3,5-dimethyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-6-[[(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-yl]oxy]-3,5-dimethyl-3,6-dihydro-2H-pyran
PubChem CID89379571
Molecular FormulaC22H34O5
Molecular Weight378.51 g/mol
Exact Mass378.24
IUPAC Name(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-6-[[(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-yl]oxy]-3,5-dimethyl-3,6-dihydro-2H-pyran
SMILESC=C[C@H](OC)[C@H]1O[C@H](O[C@H]2O[C@H]([C@H](C=C)OC)[C@H](C)C=C2C)C(C)=C[C@H]1C
InChIInChI=1S/C22H34O5/c1-9-17(23-7)19-13(3)11-15(5)21(25-19)27-22-16(6)12-14(4)20(26-22)18(10-2)24-8/h9-14,17-22H,1-2H2,3-8H3/t13-,14-,17+,18+,19+,20+,21-,22-/m1/s1
InChIKeyDSKHSXWYHFAEQZ-VQOXFBBASA-N
XLogP4.02
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-6-[[(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-yl]oxy]-3,5-dimethyl-3,6-dihydro-2H-pyran with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-6-[[(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-yl]oxy]-3,5-dimethyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-6-[[(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-yl]oxy]-3,5-dimethyl-3,6-dihydro-2H-pyran (CID 89379571) is (2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-6-[[(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-yl]oxy]-3,5-dimethyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-6-[[(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-yl]oxy]-3,5-dimethyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-6-[[(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-yl]oxy]-3,5-dimethyl-3,6-dihydro-2H-pyran is C=C[C@H](OC)[C@H]1O[C@H](O[C@H]2O[C@H]([C@H](C=C)OC)[C@H](C)C=C2C)C(C)=C[C@H]1C.
What is the InChIKey of (2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-6-[[(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-yl]oxy]-3,5-dimethyl-3,6-dihydro-2H-pyran?
The InChIKey is DSKHSXWYHFAEQZ-VQOXFBBASA-N. The full InChI is InChI=1S/C22H34O5/c1-9-17(23-7)19-13(3)11-15(5)21(25-19)27-22-16(6)12-14(4)20(26-22)18(10-2)24-8/h9-14,17-22H,1-2H2,3-8H3/t13-,14-,17+,18+,19+,20+,21-,22-/m1/s1.
What are the key properties of (2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-6-[[(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-yl]oxy]-3,5-dimethyl-3,6-dihydro-2H-pyran?
(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-6-[[(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-yl]oxy]-3,5-dimethyl-3,6-dihydro-2H-pyran has a molecular weight of 378.51 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-6-[[(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-yl]oxy]-3,5-dimethyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 89379571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).