(5-ethoxyoxolan-3-yl)methyl benzoate

C14H18O4 — CID 11149370

IUPAC(5-ethoxyoxolan-3-yl)methyl benzoate
SMILESCCOC1CC(COC(=O)c2ccccc2)CO1
InChIInChI=1S/C14H18O4/c1-2-16-13-8-11(9-17-13)10-18-14(15)12-6-4-3-5-7-12/h3-7,11,13H,2,8-10H2,1H3
InChIKeyAUSPRVONDQTCLE-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.24
Rot. Bonds5

About (5-ethoxyoxolan-3-yl)methyl benzoate

(5-ethoxyoxolan-3-yl)methyl benzoate (PubChem CID 11149370) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (5-ethoxyoxolan-3-yl)methyl benzoate.

Molecular Properties

Compound Name(5-ethoxyoxolan-3-yl)methyl benzoate
PubChem CID11149370
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(5-ethoxyoxolan-3-yl)methyl benzoate
SMILESCCOC1CC(COC(=O)c2ccccc2)CO1
InChIInChI=1S/C14H18O4/c1-2-16-13-8-11(9-17-13)10-18-14(15)12-6-4-3-5-7-12/h3-7,11,13H,2,8-10H2,1H3
InChIKeyAUSPRVONDQTCLE-UHFFFAOYSA-N
XLogP2.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,5R)-5-ethoxy-1,3-oxathiolan-2-yl]methyl benzoate
CID 11161502
[(2R,5S)-5-(benzoyloxymethyl)-1,4-dioxan-2-yl]methyl benzoate
CID 1040756
(4,5-diethoxy-3-hydroxyoxolan-2-yl)methyl benzoate
CID 59855677
[(2S,3S,5R)-3-(diethoxyphosphorylmethyl)-5-ethoxyoxolan-2-yl]methyl benzoate
CID 15835070
(3-oxocyclobutyl)methyl benzoate
CID 15531476
CID 158970570
CID 158970570
[(2R,4S)-4-methyl-1,3-oxathiolan-2-yl]methyl benzoate
CID 163488154
(2-ethoxy-3,4-dihydro-2H-pyran-6-yl) benzoate
CID 10562502
[3-(benzoyloxymethyl)oxiran-2-yl]methyl benzoate
CID 85086924
CID 22960900
CID 22960900
[(2R,3S,5S)-5-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate
CID 11035320
[(1R,2S,3S)-2-(benzoyloxymethyl)-3-hydroxycyclobutyl]methyl benzoate
CID 92979836

Frequently Asked Questions

What is the IUPAC name of (5-ethoxyoxolan-3-yl)methyl benzoate?
The IUPAC name of (5-ethoxyoxolan-3-yl)methyl benzoate (CID 11149370) is (5-ethoxyoxolan-3-yl)methyl benzoate.
What is the SMILES notation for (5-ethoxyoxolan-3-yl)methyl benzoate?
The canonical SMILES for (5-ethoxyoxolan-3-yl)methyl benzoate is CCOC1CC(COC(=O)c2ccccc2)CO1.
What is the InChIKey of (5-ethoxyoxolan-3-yl)methyl benzoate?
The InChIKey is AUSPRVONDQTCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-2-16-13-8-11(9-17-13)10-18-14(15)12-6-4-3-5-7-12/h3-7,11,13H,2,8-10H2,1H3.
What are the key properties of (5-ethoxyoxolan-3-yl)methyl benzoate?
(5-ethoxyoxolan-3-yl)methyl benzoate has a molecular weight of 250.29 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxyoxolan-3-yl)methyl benzoate is sourced from PubChem (CID 11149370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).