(2R,3S,5S)-3-ethynyl-5-pentyl-2-(2-phenylethyl)oxolane

C19H26O — CID 142700718

IUPAC(2R,3S,5S)-3-ethynyl-5-pentyl-2-(2-phenylethyl)oxolane
SMILESC#C[C@@H]1C[C@H](CCCCC)O[C@@H]1CCc1ccccc1
InChIInChI=1S/C19H26O/c1-3-5-7-12-18-15-17(4-2)19(20-18)14-13-16-10-8-6-9-11-16/h2,6,8-11,17-19H,3,5,7,12-15H2,1H3/t17-,18+,19-/m1/s1
InChIKeyQDLVMQGCTKZQLZ-CEXWTWQISA-N
MW270.42 g/mol
LogP4.61
Rot. Bonds7

About (2R,3S,5S)-3-ethynyl-5-pentyl-2-(2-phenylethyl)oxolane

(2R,3S,5S)-3-ethynyl-5-pentyl-2-(2-phenylethyl)oxolane (PubChem CID 142700718) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is (2R,3S,5S)-3-ethynyl-5-pentyl-2-(2-phenylethyl)oxolane.

Molecular Properties

Compound Name(2R,3S,5S)-3-ethynyl-5-pentyl-2-(2-phenylethyl)oxolane
PubChem CID142700718
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name(2R,3S,5S)-3-ethynyl-5-pentyl-2-(2-phenylethyl)oxolane
SMILESC#C[C@@H]1C[C@H](CCCCC)O[C@@H]1CCc1ccccc1
InChIInChI=1S/C19H26O/c1-3-5-7-12-18-15-17(4-2)19(20-18)14-13-16-10-8-6-9-11-16/h2,6,8-11,17-19H,3,5,7,12-15H2,1H3/t17-,18+,19-/m1/s1
InChIKeyQDLVMQGCTKZQLZ-CEXWTWQISA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-3-ethynyl-5-pentyl-2-(2-phenylethyl)oxolane?
The IUPAC name of (2R,3S,5S)-3-ethynyl-5-pentyl-2-(2-phenylethyl)oxolane (CID 142700718) is (2R,3S,5S)-3-ethynyl-5-pentyl-2-(2-phenylethyl)oxolane.
What is the SMILES notation for (2R,3S,5S)-3-ethynyl-5-pentyl-2-(2-phenylethyl)oxolane?
The canonical SMILES for (2R,3S,5S)-3-ethynyl-5-pentyl-2-(2-phenylethyl)oxolane is C#C[C@@H]1C[C@H](CCCCC)O[C@@H]1CCc1ccccc1.
What is the InChIKey of (2R,3S,5S)-3-ethynyl-5-pentyl-2-(2-phenylethyl)oxolane?
The InChIKey is QDLVMQGCTKZQLZ-CEXWTWQISA-N. The full InChI is InChI=1S/C19H26O/c1-3-5-7-12-18-15-17(4-2)19(20-18)14-13-16-10-8-6-9-11-16/h2,6,8-11,17-19H,3,5,7,12-15H2,1H3/t17-,18+,19-/m1/s1.
What are the key properties of (2R,3S,5S)-3-ethynyl-5-pentyl-2-(2-phenylethyl)oxolane?
(2R,3S,5S)-3-ethynyl-5-pentyl-2-(2-phenylethyl)oxolane has a molecular weight of 270.42 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-3-ethynyl-5-pentyl-2-(2-phenylethyl)oxolane is sourced from PubChem (CID 142700718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).