3,3-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one

C26H26O5 — CID 160984171

IUPAC3,3-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
SMILESO=C1OC(COCc2ccccc2)CC1(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C26H26O5/c27-25-26(29-18-22-12-6-2-7-13-22,30-19-23-14-8-3-9-15-23)16-24(31-25)20-28-17-21-10-4-1-5-11-21/h1-15,24H,16-20H2
InChIKeySZXBTUVGEMDRID-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.65
Rot. Bonds10

About 3,3-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one

3,3-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one (PubChem CID 160984171) has the molecular formula C26H26O5 and a molecular weight of 418.49 g/mol. Its IUPAC name is 3,3-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name3,3-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
PubChem CID160984171
Molecular FormulaC26H26O5
Molecular Weight418.49 g/mol
Exact Mass418.18
IUPAC Name3,3-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
SMILESO=C1OC(COCc2ccccc2)CC1(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C26H26O5/c27-25-26(29-18-22-12-6-2-7-13-22,30-19-23-14-8-3-9-15-23)16-24(31-25)20-28-17-21-10-4-1-5-11-21/h1-15,24H,16-20H2
InChIKeySZXBTUVGEMDRID-UHFFFAOYSA-N
XLogP4.65
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 10989192
(5S)-5-(phenylmethoxymethyl)oxolan-3-one
CID 168857190
(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10680435
3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol
CID 150125273
(6S)-3-hydroxy-6-(phenylmethoxymethyl)oxan-2-one
CID 67831333
7-(phenylmethoxymethyl)oxepan-2-one
CID 75080085
(5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 13339835
(5S)-3,3-diethyl-5-(2-phenylmethoxyethyl)oxolan-2-one
CID 122688447
(5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 124582958
(3R,4S)-3-methyl-4-(phenylmethoxymethyl)oxetan-2-one
CID 134988868
(2R)-4-phenyl-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one
CID 14667648
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one?
The IUPAC name of 3,3-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one (CID 160984171) is 3,3-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one.
What is the SMILES notation for 3,3-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one?
The canonical SMILES for 3,3-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one is O=C1OC(COCc2ccccc2)CC1(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 3,3-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one?
The InChIKey is SZXBTUVGEMDRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O5/c27-25-26(29-18-22-12-6-2-7-13-22,30-19-23-14-8-3-9-15-23)16-24(31-25)20-28-17-21-10-4-1-5-11-21/h1-15,24H,16-20H2.
What are the key properties of 3,3-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one?
3,3-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one has a molecular weight of 418.49 g/mol, XLogP of 4.65, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one is sourced from PubChem (CID 160984171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).