benzyl 2-[(2R)-4,4-dimethyl-5-oxooxolan-2-yl]acetate

C15H18O4 — CID 154722542

IUPACbenzyl 2-[(2R)-4,4-dimethyl-5-oxooxolan-2-yl]acetate
SMILESCC1(C)C[C@H](CC(=O)OCc2ccccc2)OC1=O
InChIInChI=1S/C15H18O4/c1-15(2)9-12(19-14(15)17)8-13(16)18-10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3/t12-/m0/s1
InChIKeyKXNSRBUCLCVORS-LBPRGKRZSA-N
MW262.30 g/mol
LogP2.46
Rot. Bonds4

About benzyl 2-[(2R)-4,4-dimethyl-5-oxooxolan-2-yl]acetate

benzyl 2-[(2R)-4,4-dimethyl-5-oxooxolan-2-yl]acetate (PubChem CID 154722542) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is benzyl 2-[(2R)-4,4-dimethyl-5-oxooxolan-2-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[(2R)-4,4-dimethyl-5-oxooxolan-2-yl]acetate
PubChem CID154722542
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Namebenzyl 2-[(2R)-4,4-dimethyl-5-oxooxolan-2-yl]acetate
SMILESCC1(C)C[C@H](CC(=O)OCc2ccccc2)OC1=O
InChIInChI=1S/C15H18O4/c1-15(2)9-12(19-14(15)17)8-13(16)18-10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3/t12-/m0/s1
InChIKeyKXNSRBUCLCVORS-LBPRGKRZSA-N
XLogP2.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2R)-4,4-dimethyl-5-oxooxolan-2-yl]acetate?
The IUPAC name of benzyl 2-[(2R)-4,4-dimethyl-5-oxooxolan-2-yl]acetate (CID 154722542) is benzyl 2-[(2R)-4,4-dimethyl-5-oxooxolan-2-yl]acetate.
What is the SMILES notation for benzyl 2-[(2R)-4,4-dimethyl-5-oxooxolan-2-yl]acetate?
The canonical SMILES for benzyl 2-[(2R)-4,4-dimethyl-5-oxooxolan-2-yl]acetate is CC1(C)C[C@H](CC(=O)OCc2ccccc2)OC1=O.
What is the InChIKey of benzyl 2-[(2R)-4,4-dimethyl-5-oxooxolan-2-yl]acetate?
The InChIKey is KXNSRBUCLCVORS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18O4/c1-15(2)9-12(19-14(15)17)8-13(16)18-10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3/t12-/m0/s1.
What are the key properties of benzyl 2-[(2R)-4,4-dimethyl-5-oxooxolan-2-yl]acetate?
benzyl 2-[(2R)-4,4-dimethyl-5-oxooxolan-2-yl]acetate has a molecular weight of 262.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2R)-4,4-dimethyl-5-oxooxolan-2-yl]acetate is sourced from PubChem (CID 154722542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).