(2S)-2-[(E)-2-[(4R,5S)-5-[(2R)-2-(methoxymethoxy)pent-4-enyl]-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]ethenyl]-4-methyl-3,6-dihydro-2H-pyran

C25H34O6 — CID 102524166

IUPAC(2S)-2-[(E)-2-[(4R,5S)-5-[(2R)-2-(methoxymethoxy)pent-4-enyl]-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]ethenyl]-4-methyl-3,6-dihydro-2H-pyran
SMILESC=CC[C@H](C[C@@H]1OC(c2ccc(OC)cc2)O[C@@H]1/C=C/[C@@H]1CC(C)=CCO1)OCOC
InChIInChI=1S/C25H34O6/c1-5-6-21(29-17-26-3)16-24-23(12-11-22-15-18(2)13-14-28-22)30-25(31-24)19-7-9-20(27-4)10-8-19/h5,7-13,21-25H,1,6,14-17H2,2-4H3/b12-11+/t21-,22-,23-,24+,25?/m1/s1
InChIKeyODUOOWXRIRGHBN-HQLLLSGLSA-N
MW430.54 g/mol
LogP4.72
Rot. Bonds11

About (2S)-2-[(E)-2-[(4R,5S)-5-[(2R)-2-(methoxymethoxy)pent-4-enyl]-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]ethenyl]-4-methyl-3,6-dihydro-2H-pyran

(2S)-2-[(E)-2-[(4R,5S)-5-[(2R)-2-(methoxymethoxy)pent-4-enyl]-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]ethenyl]-4-methyl-3,6-dihydro-2H-pyran (PubChem CID 102524166) has the molecular formula C25H34O6 and a molecular weight of 430.54 g/mol. Its IUPAC name is (2S)-2-[(E)-2-[(4R,5S)-5-[(2R)-2-(methoxymethoxy)pent-4-enyl]-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]ethenyl]-4-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S)-2-[(E)-2-[(4R,5S)-5-[(2R)-2-(methoxymethoxy)pent-4-enyl]-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]ethenyl]-4-methyl-3,6-dihydro-2H-pyran
PubChem CID102524166
Molecular FormulaC25H34O6
Molecular Weight430.54 g/mol
Exact Mass430.24
IUPAC Name(2S)-2-[(E)-2-[(4R,5S)-5-[(2R)-2-(methoxymethoxy)pent-4-enyl]-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]ethenyl]-4-methyl-3,6-dihydro-2H-pyran
SMILESC=CC[C@H](C[C@@H]1OC(c2ccc(OC)cc2)O[C@@H]1/C=C/[C@@H]1CC(C)=CCO1)OCOC
InChIInChI=1S/C25H34O6/c1-5-6-21(29-17-26-3)16-24-23(12-11-22-15-18(2)13-14-28-22)30-25(31-24)19-7-9-20(27-4)10-8-19/h5,7-13,21-25H,1,6,14-17H2,2-4H3/b12-11+/t21-,22-,23-,24+,25?/m1/s1
InChIKeyODUOOWXRIRGHBN-HQLLLSGLSA-N
XLogP4.72
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-2-[(E)-2-[(4R,5S)-5-[(2R)-2-(methoxymethoxy)pent-4-enyl]-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]ethenyl]-4-methyl-3,6-dihydro-2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(E)-2-[(4R,5S)-5-[(2R)-2-(methoxymethoxy)pent-4-enyl]-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]ethenyl]-4-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S)-2-[(E)-2-[(4R,5S)-5-[(2R)-2-(methoxymethoxy)pent-4-enyl]-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]ethenyl]-4-methyl-3,6-dihydro-2H-pyran (CID 102524166) is (2S)-2-[(E)-2-[(4R,5S)-5-[(2R)-2-(methoxymethoxy)pent-4-enyl]-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]ethenyl]-4-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S)-2-[(E)-2-[(4R,5S)-5-[(2R)-2-(methoxymethoxy)pent-4-enyl]-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]ethenyl]-4-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S)-2-[(E)-2-[(4R,5S)-5-[(2R)-2-(methoxymethoxy)pent-4-enyl]-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]ethenyl]-4-methyl-3,6-dihydro-2H-pyran is C=CC[C@H](C[C@@H]1OC(c2ccc(OC)cc2)O[C@@H]1/C=C/[C@@H]1CC(C)=CCO1)OCOC.
What is the InChIKey of (2S)-2-[(E)-2-[(4R,5S)-5-[(2R)-2-(methoxymethoxy)pent-4-enyl]-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]ethenyl]-4-methyl-3,6-dihydro-2H-pyran?
The InChIKey is ODUOOWXRIRGHBN-HQLLLSGLSA-N. The full InChI is InChI=1S/C25H34O6/c1-5-6-21(29-17-26-3)16-24-23(12-11-22-15-18(2)13-14-28-22)30-25(31-24)19-7-9-20(27-4)10-8-19/h5,7-13,21-25H,1,6,14-17H2,2-4H3/b12-11+/t21-,22-,23-,24+,25?/m1/s1.
What are the key properties of (2S)-2-[(E)-2-[(4R,5S)-5-[(2R)-2-(methoxymethoxy)pent-4-enyl]-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]ethenyl]-4-methyl-3,6-dihydro-2H-pyran?
(2S)-2-[(E)-2-[(4R,5S)-5-[(2R)-2-(methoxymethoxy)pent-4-enyl]-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]ethenyl]-4-methyl-3,6-dihydro-2H-pyran has a molecular weight of 430.54 g/mol, XLogP of 4.72, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(E)-2-[(4R,5S)-5-[(2R)-2-(methoxymethoxy)pent-4-enyl]-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]ethenyl]-4-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 102524166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).