(2R,3R)-2-[(2R,5R,7S,8E,10E)-5,7-dihydroxy-11-phenylundeca-8,10-dien-2-yl]-3-ethyl-2,3-dihydropyran-6-one

C24H32O4 — CID 10927117

IUPAC(2R,3R)-2-[(2R,5R,7S,8E,10E)-5,7-dihydroxy-11-phenylundeca-8,10-dien-2-yl]-3-ethyl-2,3-dihydropyran-6-one
SMILESCC[C@@H]1C=CC(=O)O[C@@H]1[C@H](C)CC[C@@H](O)C[C@H](O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C24H32O4/c1-3-20-14-16-23(27)28-24(20)18(2)13-15-22(26)17-21(25)12-8-7-11-19-9-5-4-6-10-19/h4-12,14,16,18,20-22,24-26H,3,13,15,17H2,1-2H3/b11-7+,12-8+/t18-,20-,21-,22-,24-/m1/s1
InChIKeyIKMNWINZTIFDLH-OLDSPRNQSA-N
MW384.52 g/mol
LogP4.29
Rot. Bonds10

About (2R,3R)-2-[(2R,5R,7S,8E,10E)-5,7-dihydroxy-11-phenylundeca-8,10-dien-2-yl]-3-ethyl-2,3-dihydropyran-6-one

(2R,3R)-2-[(2R,5R,7S,8E,10E)-5,7-dihydroxy-11-phenylundeca-8,10-dien-2-yl]-3-ethyl-2,3-dihydropyran-6-one (PubChem CID 10927117) has the molecular formula C24H32O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is (2R,3R)-2-[(2R,5R,7S,8E,10E)-5,7-dihydroxy-11-phenylundeca-8,10-dien-2-yl]-3-ethyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R,3R)-2-[(2R,5R,7S,8E,10E)-5,7-dihydroxy-11-phenylundeca-8,10-dien-2-yl]-3-ethyl-2,3-dihydropyran-6-one
PubChem CID10927117
Molecular FormulaC24H32O4
Molecular Weight384.52 g/mol
Exact Mass384.23
IUPAC Name(2R,3R)-2-[(2R,5R,7S,8E,10E)-5,7-dihydroxy-11-phenylundeca-8,10-dien-2-yl]-3-ethyl-2,3-dihydropyran-6-one
SMILESCC[C@@H]1C=CC(=O)O[C@@H]1[C@H](C)CC[C@@H](O)C[C@H](O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C24H32O4/c1-3-20-14-16-23(27)28-24(20)18(2)13-15-22(26)17-21(25)12-8-7-11-19-9-5-4-6-10-19/h4-12,14,16,18,20-22,24-26H,3,13,15,17H2,1-2H3/b11-7+,12-8+/t18-,20-,21-,22-,24-/m1/s1
InChIKeyIKMNWINZTIFDLH-OLDSPRNQSA-N
XLogP4.29
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(2R,5R,7S,8E,10E)-5,7-dihydroxy-11-phenylundeca-8,10-dien-2-yl]-3-ethyl-2,3-dihydropyran-6-one?
The IUPAC name of (2R,3R)-2-[(2R,5R,7S,8E,10E)-5,7-dihydroxy-11-phenylundeca-8,10-dien-2-yl]-3-ethyl-2,3-dihydropyran-6-one (CID 10927117) is (2R,3R)-2-[(2R,5R,7S,8E,10E)-5,7-dihydroxy-11-phenylundeca-8,10-dien-2-yl]-3-ethyl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R,3R)-2-[(2R,5R,7S,8E,10E)-5,7-dihydroxy-11-phenylundeca-8,10-dien-2-yl]-3-ethyl-2,3-dihydropyran-6-one?
The canonical SMILES for (2R,3R)-2-[(2R,5R,7S,8E,10E)-5,7-dihydroxy-11-phenylundeca-8,10-dien-2-yl]-3-ethyl-2,3-dihydropyran-6-one is CC[C@@H]1C=CC(=O)O[C@@H]1[C@H](C)CC[C@@H](O)C[C@H](O)/C=C/C=C/c1ccccc1.
What is the InChIKey of (2R,3R)-2-[(2R,5R,7S,8E,10E)-5,7-dihydroxy-11-phenylundeca-8,10-dien-2-yl]-3-ethyl-2,3-dihydropyran-6-one?
The InChIKey is IKMNWINZTIFDLH-OLDSPRNQSA-N. The full InChI is InChI=1S/C24H32O4/c1-3-20-14-16-23(27)28-24(20)18(2)13-15-22(26)17-21(25)12-8-7-11-19-9-5-4-6-10-19/h4-12,14,16,18,20-22,24-26H,3,13,15,17H2,1-2H3/b11-7+,12-8+/t18-,20-,21-,22-,24-/m1/s1.
What are the key properties of (2R,3R)-2-[(2R,5R,7S,8E,10E)-5,7-dihydroxy-11-phenylundeca-8,10-dien-2-yl]-3-ethyl-2,3-dihydropyran-6-one?
(2R,3R)-2-[(2R,5R,7S,8E,10E)-5,7-dihydroxy-11-phenylundeca-8,10-dien-2-yl]-3-ethyl-2,3-dihydropyran-6-one has a molecular weight of 384.52 g/mol, XLogP of 4.29, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(2R,5R,7S,8E,10E)-5,7-dihydroxy-11-phenylundeca-8,10-dien-2-yl]-3-ethyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 10927117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).