benzyl [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] carbonate

C14H16O5 — CID 10539530

IUPACbenzyl [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] carbonate
SMILESCC1(C)COC(=O)[C@@H]1OC(=O)OCc1ccccc1
InChIInChI=1S/C14H16O5/c1-14(2)9-18-12(15)11(14)19-13(16)17-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyUWSSNBBYBBEYNF-NSHDSACASA-N
MW264.28 g/mol
LogP2.29
Rot. Bonds3

About benzyl [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] carbonate

benzyl [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] carbonate (PubChem CID 10539530) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is benzyl [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] carbonate.

Molecular Properties

Compound Namebenzyl [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] carbonate
PubChem CID10539530
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Namebenzyl [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] carbonate
SMILESCC1(C)COC(=O)[C@@H]1OC(=O)OCc1ccccc1
InChIInChI=1S/C14H16O5/c1-14(2)9-18-12(15)11(14)19-13(16)17-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyUWSSNBBYBBEYNF-NSHDSACASA-N
XLogP2.29
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] carbonate?
The IUPAC name of benzyl [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] carbonate (CID 10539530) is benzyl [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] carbonate.
What is the SMILES notation for benzyl [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] carbonate?
The canonical SMILES for benzyl [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] carbonate is CC1(C)COC(=O)[C@@H]1OC(=O)OCc1ccccc1.
What is the InChIKey of benzyl [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] carbonate?
The InChIKey is UWSSNBBYBBEYNF-NSHDSACASA-N. The full InChI is InChI=1S/C14H16O5/c1-14(2)9-18-12(15)11(14)19-13(16)17-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of benzyl [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] carbonate?
benzyl [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] carbonate has a molecular weight of 264.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] carbonate is sourced from PubChem (CID 10539530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).