3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one

C14H18O5 — CID 10989192

IUPAC3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one
SMILESCOC1(OC)CC(COCc2ccccc2)OC1=O
InChIInChI=1S/C14H18O5/c1-16-14(17-2)8-12(19-13(14)15)10-18-9-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyAFBWGLZMZYSNOL-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.51
Rot. Bonds6

About 3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one

3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one (PubChem CID 10989192) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one
PubChem CID10989192
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one
SMILESCOC1(OC)CC(COCc2ccccc2)OC1=O
InChIInChI=1S/C14H18O5/c1-16-14(17-2)8-12(19-13(14)15)10-18-9-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyAFBWGLZMZYSNOL-UHFFFAOYSA-N
XLogP1.51
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.51
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-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 160984171
(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10680435
(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)-5-(phenylmethoxymethyl)oxolan-3-one
CID 168857190
(3R,4S)-3-methyl-4-(phenylmethoxymethyl)oxetan-2-one
CID 134988868
(3S,5S)-3-(methoxymethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 10858400
7-(phenylmethoxymethyl)oxepan-2-one
CID 75080085
(6S)-3-hydroxy-6-(phenylmethoxymethyl)oxan-2-one
CID 67831333
CID 24829181
CID 24829181
(7S)-2,2-dimethyl-7-(phenylmethoxymethyl)-4,7,8,8a-tetrahydro-3aH-[1,3]dioxolo[4,5-d]oxepin-5-one
CID 44605808
methyl (2S,3R)-3-(phenylmethoxymethyl)oxirane-2-carboxylate
CID 101113540

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one?
The IUPAC name of 3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one (CID 10989192) is 3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one.
What is the SMILES notation for 3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one?
The canonical SMILES for 3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one is COC1(OC)CC(COCc2ccccc2)OC1=O.
What is the InChIKey of 3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one?
The InChIKey is AFBWGLZMZYSNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-16-14(17-2)8-12(19-13(14)15)10-18-9-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3.
What are the key properties of 3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one?
3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one has a molecular weight of 266.29 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one is sourced from PubChem (CID 10989192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).