(E,4R)-4-[(2R,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pent-2-en-1-ol

C17H24O4 — CID 10661314

IUPAC(E,4R)-4-[(2R,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pent-2-en-1-ol
SMILESCOc1ccc([C@@H]2OC[C@H](C)[C@H]([C@H](C)/C=C/CO)O2)cc1
InChIInChI=1S/C17H24O4/c1-12(5-4-10-18)16-13(2)11-20-17(21-16)14-6-8-15(19-3)9-7-14/h4-9,12-13,16-18H,10-11H2,1-3H3/b5-4+/t12-,13+,16+,17-/m1/s1
InChIKeyFSJSRPZOLYNARY-ULAIMPDRSA-N
MW292.38 g/mol
LogP2.93
Rot. Bonds5

About (E,4R)-4-[(2R,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pent-2-en-1-ol

(E,4R)-4-[(2R,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pent-2-en-1-ol (PubChem CID 10661314) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (E,4R)-4-[(2R,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pent-2-en-1-ol.

Molecular Properties

Compound Name(E,4R)-4-[(2R,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pent-2-en-1-ol
PubChem CID10661314
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(E,4R)-4-[(2R,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pent-2-en-1-ol
SMILESCOc1ccc([C@@H]2OC[C@H](C)[C@H]([C@H](C)/C=C/CO)O2)cc1
InChIInChI=1S/C17H24O4/c1-12(5-4-10-18)16-13(2)11-20-17(21-16)14-6-8-15(19-3)9-7-14/h4-9,12-13,16-18H,10-11H2,1-3H3/b5-4+/t12-,13+,16+,17-/m1/s1
InChIKeyFSJSRPZOLYNARY-ULAIMPDRSA-N
XLogP2.93
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E,4R)-4-[(2R,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pent-2-en-1-ol 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 (E,4R)-4-[(2R,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pent-2-en-1-ol?
The IUPAC name of (E,4R)-4-[(2R,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pent-2-en-1-ol (CID 10661314) is (E,4R)-4-[(2R,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pent-2-en-1-ol.
What is the SMILES notation for (E,4R)-4-[(2R,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pent-2-en-1-ol?
The canonical SMILES for (E,4R)-4-[(2R,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pent-2-en-1-ol is COc1ccc([C@@H]2OC[C@H](C)[C@H]([C@H](C)/C=C/CO)O2)cc1.
What is the InChIKey of (E,4R)-4-[(2R,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pent-2-en-1-ol?
The InChIKey is FSJSRPZOLYNARY-ULAIMPDRSA-N. The full InChI is InChI=1S/C17H24O4/c1-12(5-4-10-18)16-13(2)11-20-17(21-16)14-6-8-15(19-3)9-7-14/h4-9,12-13,16-18H,10-11H2,1-3H3/b5-4+/t12-,13+,16+,17-/m1/s1.
What are the key properties of (E,4R)-4-[(2R,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pent-2-en-1-ol?
(E,4R)-4-[(2R,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pent-2-en-1-ol has a molecular weight of 292.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4-[(2R,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]pent-2-en-1-ol is sourced from PubChem (CID 10661314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).