benzyl 2-(3-methyloxolan-2-yl)propanoate

C15H20O3 — CID 166754558

IUPACbenzyl 2-(3-methyloxolan-2-yl)propanoate
SMILESCC1CCOC1C(C)C(=O)OCc1ccccc1
InChIInChI=1S/C15H20O3/c1-11-8-9-17-14(11)12(2)15(16)18-10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3
InChIKeyAFDIUGVPNFEDBS-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.79
Rot. Bonds4

About benzyl 2-(3-methyloxolan-2-yl)propanoate

benzyl 2-(3-methyloxolan-2-yl)propanoate (PubChem CID 166754558) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is benzyl 2-(3-methyloxolan-2-yl)propanoate.

Molecular Properties

Compound Namebenzyl 2-(3-methyloxolan-2-yl)propanoate
PubChem CID166754558
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namebenzyl 2-(3-methyloxolan-2-yl)propanoate
SMILESCC1CCOC1C(C)C(=O)OCc1ccccc1
InChIInChI=1S/C15H20O3/c1-11-8-9-17-14(11)12(2)15(16)18-10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3
InChIKeyAFDIUGVPNFEDBS-UHFFFAOYSA-N
XLogP2.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
benzyl 2-(5-oxooxolan-2-yl)propanoate
CID 167309507
benzyl 2-(1-iodo-5-methylazepan-4-yl)propanoate
CID 174381196
benzyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate
CID 107753081
benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate
CID 59735018
benzyl (2S)-3-cyclopropyl-2-methylpropanoate
CID 126562545
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl (2R,3R)-3-methoxy-2-methyl-3-[(2S)-oxolan-2-yl]propanoate
CID 170255846
benzyl N-amino-N-[(2S,3S)-2-methyloxolan-3-yl]carbamate
CID 172684690
methyl (2R)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propanoate
CID 25180523
benzyl 2-(cyclopentylamino)propanoate
CID 123711216
4-methyl-2-phenylmethoxycarbonylpentanoic acid
CID 54223940

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(3-methyloxolan-2-yl)propanoate?
The IUPAC name of benzyl 2-(3-methyloxolan-2-yl)propanoate (CID 166754558) is benzyl 2-(3-methyloxolan-2-yl)propanoate.
What is the SMILES notation for benzyl 2-(3-methyloxolan-2-yl)propanoate?
The canonical SMILES for benzyl 2-(3-methyloxolan-2-yl)propanoate is CC1CCOC1C(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(3-methyloxolan-2-yl)propanoate?
The InChIKey is AFDIUGVPNFEDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11-8-9-17-14(11)12(2)15(16)18-10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3.
What are the key properties of benzyl 2-(3-methyloxolan-2-yl)propanoate?
benzyl 2-(3-methyloxolan-2-yl)propanoate has a molecular weight of 248.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(3-methyloxolan-2-yl)propanoate is sourced from PubChem (CID 166754558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).