(2R,4R,6S)-2-ethenyl-6-[(E)-2-(2-methylphenyl)ethenyl]oxan-4-ol

C16H20O2 — CID 101353757

IUPAC(2R,4R,6S)-2-ethenyl-6-[(E)-2-(2-methylphenyl)ethenyl]oxan-4-ol
SMILESC=C[C@H]1C[C@@H](O)C[C@@H](/C=C/c2ccccc2C)O1
InChIInChI=1S/C16H20O2/c1-3-15-10-14(17)11-16(18-15)9-8-13-7-5-4-6-12(13)2/h3-9,14-17H,1,10-11H2,2H3/b9-8+/t14-,15+,16-/m1/s1
InChIKeyPRGSYMWZZWPORM-QPXAGOOMSA-N
MW244.33 g/mol
LogP3.10
Rot. Bonds3

About (2R,4R,6S)-2-ethenyl-6-[(E)-2-(2-methylphenyl)ethenyl]oxan-4-ol

(2R,4R,6S)-2-ethenyl-6-[(E)-2-(2-methylphenyl)ethenyl]oxan-4-ol (PubChem CID 101353757) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2R,4R,6S)-2-ethenyl-6-[(E)-2-(2-methylphenyl)ethenyl]oxan-4-ol.

Molecular Properties

Compound Name(2R,4R,6S)-2-ethenyl-6-[(E)-2-(2-methylphenyl)ethenyl]oxan-4-ol
PubChem CID101353757
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(2R,4R,6S)-2-ethenyl-6-[(E)-2-(2-methylphenyl)ethenyl]oxan-4-ol
SMILESC=C[C@H]1C[C@@H](O)C[C@@H](/C=C/c2ccccc2C)O1
InChIInChI=1S/C16H20O2/c1-3-15-10-14(17)11-16(18-15)9-8-13-7-5-4-6-12(13)2/h3-9,14-17H,1,10-11H2,2H3/b9-8+/t14-,15+,16-/m1/s1
InChIKeyPRGSYMWZZWPORM-QPXAGOOMSA-N
XLogP3.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,6S)-2-ethenyl-6-[(E)-2-(2-methylphenyl)ethenyl]oxan-4-ol?
The IUPAC name of (2R,4R,6S)-2-ethenyl-6-[(E)-2-(2-methylphenyl)ethenyl]oxan-4-ol (CID 101353757) is (2R,4R,6S)-2-ethenyl-6-[(E)-2-(2-methylphenyl)ethenyl]oxan-4-ol.
What is the SMILES notation for (2R,4R,6S)-2-ethenyl-6-[(E)-2-(2-methylphenyl)ethenyl]oxan-4-ol?
The canonical SMILES for (2R,4R,6S)-2-ethenyl-6-[(E)-2-(2-methylphenyl)ethenyl]oxan-4-ol is C=C[C@H]1C[C@@H](O)C[C@@H](/C=C/c2ccccc2C)O1.
What is the InChIKey of (2R,4R,6S)-2-ethenyl-6-[(E)-2-(2-methylphenyl)ethenyl]oxan-4-ol?
The InChIKey is PRGSYMWZZWPORM-QPXAGOOMSA-N. The full InChI is InChI=1S/C16H20O2/c1-3-15-10-14(17)11-16(18-15)9-8-13-7-5-4-6-12(13)2/h3-9,14-17H,1,10-11H2,2H3/b9-8+/t14-,15+,16-/m1/s1.
What are the key properties of (2R,4R,6S)-2-ethenyl-6-[(E)-2-(2-methylphenyl)ethenyl]oxan-4-ol?
(2R,4R,6S)-2-ethenyl-6-[(E)-2-(2-methylphenyl)ethenyl]oxan-4-ol has a molecular weight of 244.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6S)-2-ethenyl-6-[(E)-2-(2-methylphenyl)ethenyl]oxan-4-ol is sourced from PubChem (CID 101353757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).