(2S,5S)-2,5-bis(2-phenylethyl)oxolane

C20H24O — CID 11108749

IUPAC(2S,5S)-2,5-bis(2-phenylethyl)oxolane
SMILESc1ccc(CC[C@H]2CC[C@H](CCc3ccccc3)O2)cc1
InChIInChI=1S/C20H24O/c1-3-7-17(8-4-1)11-13-19-15-16-20(21-19)14-12-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20-/m0/s1
InChIKeyBHDZPAIDGMVJNA-PMACEKPBSA-N
MW280.41 g/mol
LogP4.80
Rot. Bonds6

About (2S,5S)-2,5-bis(2-phenylethyl)oxolane

(2S,5S)-2,5-bis(2-phenylethyl)oxolane (PubChem CID 11108749) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is (2S,5S)-2,5-bis(2-phenylethyl)oxolane.

Molecular Properties

Compound Name(2S,5S)-2,5-bis(2-phenylethyl)oxolane
PubChem CID11108749
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name(2S,5S)-2,5-bis(2-phenylethyl)oxolane
SMILESc1ccc(CC[C@H]2CC[C@H](CCc3ccccc3)O2)cc1
InChIInChI=1S/C20H24O/c1-3-7-17(8-4-1)11-13-19-15-16-20(21-19)14-12-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20-/m0/s1
InChIKeyBHDZPAIDGMVJNA-PMACEKPBSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,5S)-5-(2-phenylethyl)oxolan-2-ol
CID 86339415
2-(2-phenylethyl)oxetane
CID 13354102
2,5-bis(2-phenylethyl)-7-oxabicyclo[4.1.0]heptane
CID 72711714
2-(cyclopentylmethyl)-6-(2-phenylethyl)morpholine
CID 103161192
ethane;2-(2-phenylethyl)oxirane;propane
CID 90817072
[5-(2-pyridin-4-ylethyl)oxolan-2-yl]methanamine
CID 59825607
(2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene
CID 162778630
2,5-bis(2-phenylethyl)-2,5-dihydrofuran
CID 177484094
5-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 175040461
(2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-ol
CID 102185556
2-phenylethylcyclooctane
CID 54073487
4-cyclopropylbutylbenzene
CID 10261592

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-bis(2-phenylethyl)oxolane?
The IUPAC name of (2S,5S)-2,5-bis(2-phenylethyl)oxolane (CID 11108749) is (2S,5S)-2,5-bis(2-phenylethyl)oxolane.
What is the SMILES notation for (2S,5S)-2,5-bis(2-phenylethyl)oxolane?
The canonical SMILES for (2S,5S)-2,5-bis(2-phenylethyl)oxolane is c1ccc(CC[C@H]2CC[C@H](CCc3ccccc3)O2)cc1.
What is the InChIKey of (2S,5S)-2,5-bis(2-phenylethyl)oxolane?
The InChIKey is BHDZPAIDGMVJNA-PMACEKPBSA-N. The full InChI is InChI=1S/C20H24O/c1-3-7-17(8-4-1)11-13-19-15-16-20(21-19)14-12-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20-/m0/s1.
What are the key properties of (2S,5S)-2,5-bis(2-phenylethyl)oxolane?
(2S,5S)-2,5-bis(2-phenylethyl)oxolane has a molecular weight of 280.41 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-bis(2-phenylethyl)oxolane is sourced from PubChem (CID 11108749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).