(2S,3E,4R)-4-ethenyl-2-phenyl-3-(1-phenylpentylidene)oxolane

C23H26O — CID 11267136

IUPAC(2S,3E,4R)-4-ethenyl-2-phenyl-3-(1-phenylpentylidene)oxolane
SMILESC=C[C@H]1CO[C@@H](c2ccccc2)/C1=C(\CCCC)c1ccccc1
InChIInChI=1S/C23H26O/c1-3-5-16-21(19-12-8-6-9-13-19)22-18(4-2)17-24-23(22)20-14-10-7-11-15-20/h4,6-15,18,23H,2-3,5,16-17H2,1H3/b22-21+/t18-,23-/m0/s1
InChIKeyZXYLIKJMFCYTQS-DOOZDCQLSA-N
MW318.46 g/mol
LogP6.20
Rot. Bonds6

About (2S,3E,4R)-4-ethenyl-2-phenyl-3-(1-phenylpentylidene)oxolane

(2S,3E,4R)-4-ethenyl-2-phenyl-3-(1-phenylpentylidene)oxolane (PubChem CID 11267136) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is (2S,3E,4R)-4-ethenyl-2-phenyl-3-(1-phenylpentylidene)oxolane.

Molecular Properties

Compound Name(2S,3E,4R)-4-ethenyl-2-phenyl-3-(1-phenylpentylidene)oxolane
PubChem CID11267136
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Name(2S,3E,4R)-4-ethenyl-2-phenyl-3-(1-phenylpentylidene)oxolane
SMILESC=C[C@H]1CO[C@@H](c2ccccc2)/C1=C(\CCCC)c1ccccc1
InChIInChI=1S/C23H26O/c1-3-5-16-21(19-12-8-6-9-13-19)22-18(4-2)17-24-23(22)20-14-10-7-11-15-20/h4,6-15,18,23H,2-3,5,16-17H2,1H3/b22-21+/t18-,23-/m0/s1
InChIKeyZXYLIKJMFCYTQS-DOOZDCQLSA-N
XLogP6.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-2-phenyl-4-prop-2-enyl-2,5-dihydrofuran
CID 11207248
(3Z)-4-ethyl-3-(1-phenylpentylidene)oxetan-2-one
CID 71530732
trimethyl-[(Z)-1-phenyl-2-prop-2-enylhex-1-enyl]silane
CID 102246919
[(E)-hept-2-en-3-yl]benzene
CID 14568345
4-methyl-3-methylidene-2-phenyloxolane
CID 102507227
buta-1,3-diene;hex-1-en-2-ylbenzene;styrene
CID 173447370
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
[(E)-but-2-en-2-yl]benzene;heptane;2-methylprop-1-ene
CID 144959576
[(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene
CID 101032196
(3E)-4-ethyl-3-(1-phenylheptylidene)oxetan-2-one
CID 71530857
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
2-butyl-1-phenylnon-2-en-1-one
CID 57359358

Frequently Asked Questions

What is the IUPAC name of (2S,3E,4R)-4-ethenyl-2-phenyl-3-(1-phenylpentylidene)oxolane?
The IUPAC name of (2S,3E,4R)-4-ethenyl-2-phenyl-3-(1-phenylpentylidene)oxolane (CID 11267136) is (2S,3E,4R)-4-ethenyl-2-phenyl-3-(1-phenylpentylidene)oxolane.
What is the SMILES notation for (2S,3E,4R)-4-ethenyl-2-phenyl-3-(1-phenylpentylidene)oxolane?
The canonical SMILES for (2S,3E,4R)-4-ethenyl-2-phenyl-3-(1-phenylpentylidene)oxolane is C=C[C@H]1CO[C@@H](c2ccccc2)/C1=C(\CCCC)c1ccccc1.
What is the InChIKey of (2S,3E,4R)-4-ethenyl-2-phenyl-3-(1-phenylpentylidene)oxolane?
The InChIKey is ZXYLIKJMFCYTQS-DOOZDCQLSA-N. The full InChI is InChI=1S/C23H26O/c1-3-5-16-21(19-12-8-6-9-13-19)22-18(4-2)17-24-23(22)20-14-10-7-11-15-20/h4,6-15,18,23H,2-3,5,16-17H2,1H3/b22-21+/t18-,23-/m0/s1.
What are the key properties of (2S,3E,4R)-4-ethenyl-2-phenyl-3-(1-phenylpentylidene)oxolane?
(2S,3E,4R)-4-ethenyl-2-phenyl-3-(1-phenylpentylidene)oxolane has a molecular weight of 318.46 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3E,4R)-4-ethenyl-2-phenyl-3-(1-phenylpentylidene)oxolane is sourced from PubChem (CID 11267136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).