(2R,5R)-2-(phenylmethoxymethyl)-5-(5-phenylmethoxypent-3-ynyl)oxolane

C24H28O3 — CID 11810625

IUPAC(2R,5R)-2-(phenylmethoxymethyl)-5-(5-phenylmethoxypent-3-ynyl)oxolane
SMILESC(#CCOCc1ccccc1)CC[C@@H]1CC[C@H](COCc2ccccc2)O1
InChIInChI=1S/C24H28O3/c1-4-10-21(11-5-1)18-25-17-9-3-8-14-23-15-16-24(27-23)20-26-19-22-12-6-2-7-13-22/h1-2,4-7,10-13,23-24H,8,14-20H2/t23-,24-/m1/s1
InChIKeyHEURAGZSBPQWLI-DNQXCXABSA-N
MW364.49 g/mol
LogP4.75
Rot. Bonds9

About (2R,5R)-2-(phenylmethoxymethyl)-5-(5-phenylmethoxypent-3-ynyl)oxolane

(2R,5R)-2-(phenylmethoxymethyl)-5-(5-phenylmethoxypent-3-ynyl)oxolane (PubChem CID 11810625) has the molecular formula C24H28O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is (2R,5R)-2-(phenylmethoxymethyl)-5-(5-phenylmethoxypent-3-ynyl)oxolane.

Molecular Properties

Compound Name(2R,5R)-2-(phenylmethoxymethyl)-5-(5-phenylmethoxypent-3-ynyl)oxolane
PubChem CID11810625
Molecular FormulaC24H28O3
Molecular Weight364.49 g/mol
Exact Mass364.20
IUPAC Name(2R,5R)-2-(phenylmethoxymethyl)-5-(5-phenylmethoxypent-3-ynyl)oxolane
SMILESC(#CCOCc1ccccc1)CC[C@@H]1CC[C@H](COCc2ccccc2)O1
InChIInChI=1S/C24H28O3/c1-4-10-21(11-5-1)18-25-17-9-3-8-14-23-15-16-24(27-23)20-26-19-22-12-6-2-7-13-22/h1-2,4-7,10-13,23-24H,8,14-20H2/t23-,24-/m1/s1
InChIKeyHEURAGZSBPQWLI-DNQXCXABSA-N
XLogP4.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
CID 139257658
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445
7-phenylmethoxyhepta-2,5-diynoxymethylbenzene
CID 10930944
(2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 11622905
3-[5-(phenylmethoxymethyl)oxolan-2-yl]oxypropan-1-amine
CID 169187651
2-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 74402872
[4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol
CID 23452412
2-bromo-1-[5-(phenylmethoxymethyl)oxolan-2-yl]ethanone
CID 155043251
[(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate
CID 125485988
2-[[5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-N,N-dipropylacetamide
CID 12888743

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(phenylmethoxymethyl)-5-(5-phenylmethoxypent-3-ynyl)oxolane?
The IUPAC name of (2R,5R)-2-(phenylmethoxymethyl)-5-(5-phenylmethoxypent-3-ynyl)oxolane (CID 11810625) is (2R,5R)-2-(phenylmethoxymethyl)-5-(5-phenylmethoxypent-3-ynyl)oxolane.
What is the SMILES notation for (2R,5R)-2-(phenylmethoxymethyl)-5-(5-phenylmethoxypent-3-ynyl)oxolane?
The canonical SMILES for (2R,5R)-2-(phenylmethoxymethyl)-5-(5-phenylmethoxypent-3-ynyl)oxolane is C(#CCOCc1ccccc1)CC[C@@H]1CC[C@H](COCc2ccccc2)O1.
What is the InChIKey of (2R,5R)-2-(phenylmethoxymethyl)-5-(5-phenylmethoxypent-3-ynyl)oxolane?
The InChIKey is HEURAGZSBPQWLI-DNQXCXABSA-N. The full InChI is InChI=1S/C24H28O3/c1-4-10-21(11-5-1)18-25-17-9-3-8-14-23-15-16-24(27-23)20-26-19-22-12-6-2-7-13-22/h1-2,4-7,10-13,23-24H,8,14-20H2/t23-,24-/m1/s1.
What are the key properties of (2R,5R)-2-(phenylmethoxymethyl)-5-(5-phenylmethoxypent-3-ynyl)oxolane?
(2R,5R)-2-(phenylmethoxymethyl)-5-(5-phenylmethoxypent-3-ynyl)oxolane has a molecular weight of 364.49 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(phenylmethoxymethyl)-5-(5-phenylmethoxypent-3-ynyl)oxolane is sourced from PubChem (CID 11810625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).