(2S,3S)-3-ethenyl-2-(2-phenylethyl)oxolane

C14H18O — CID 10560052

IUPAC(2S,3S)-3-ethenyl-2-(2-phenylethyl)oxolane
SMILESC=C[C@@H]1CCO[C@H]1CCc1ccccc1
InChIInChI=1S/C14H18O/c1-2-13-10-11-15-14(13)9-8-12-6-4-3-5-7-12/h2-7,13-14H,1,8-11H2/t13-,14+/m1/s1
InChIKeyWDKLWBKMHRELAK-KGLIPLIRSA-N
MW202.30 g/mol
LogP3.21
Rot. Bonds4

About (2S,3S)-3-ethenyl-2-(2-phenylethyl)oxolane

(2S,3S)-3-ethenyl-2-(2-phenylethyl)oxolane (PubChem CID 10560052) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S,3S)-3-ethenyl-2-(2-phenylethyl)oxolane.

Molecular Properties

Compound Name(2S,3S)-3-ethenyl-2-(2-phenylethyl)oxolane
PubChem CID10560052
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(2S,3S)-3-ethenyl-2-(2-phenylethyl)oxolane
SMILESC=C[C@@H]1CCO[C@H]1CCc1ccccc1
InChIInChI=1S/C14H18O/c1-2-13-10-11-15-14(13)9-8-12-6-4-3-5-7-12/h2-7,13-14H,1,8-11H2/t13-,14+/m1/s1
InChIKeyWDKLWBKMHRELAK-KGLIPLIRSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2S,3S)-3-ethenyl-2-(2-phenylethyl)oxolane?
The IUPAC name of (2S,3S)-3-ethenyl-2-(2-phenylethyl)oxolane (CID 10560052) is (2S,3S)-3-ethenyl-2-(2-phenylethyl)oxolane.
What is the SMILES notation for (2S,3S)-3-ethenyl-2-(2-phenylethyl)oxolane?
The canonical SMILES for (2S,3S)-3-ethenyl-2-(2-phenylethyl)oxolane is C=C[C@@H]1CCO[C@H]1CCc1ccccc1.
What is the InChIKey of (2S,3S)-3-ethenyl-2-(2-phenylethyl)oxolane?
The InChIKey is WDKLWBKMHRELAK-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H18O/c1-2-13-10-11-15-14(13)9-8-12-6-4-3-5-7-12/h2-7,13-14H,1,8-11H2/t13-,14+/m1/s1.
What are the key properties of (2S,3S)-3-ethenyl-2-(2-phenylethyl)oxolane?
(2S,3S)-3-ethenyl-2-(2-phenylethyl)oxolane has a molecular weight of 202.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-ethenyl-2-(2-phenylethyl)oxolane is sourced from PubChem (CID 10560052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).