[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(3-bromophenyl)-4-methylpentanoate

C18H23BrO4 — CID 10948974

IUPAC[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(3-bromophenyl)-4-methylpentanoate
SMILESCC(C)C[C@@H](C(=O)O[C@H]1C(=O)OCC1(C)C)c1cccc(Br)c1
InChIInChI=1S/C18H23BrO4/c1-11(2)8-14(12-6-5-7-13(19)9-12)16(20)23-15-17(21)22-10-18(15,3)4/h5-7,9,11,14-15H,8,10H2,1-4H3/t14-,15+/m1/s1
InChIKeyLHHKVVSSBMDARM-CABCVRRESA-N
MW383.28 g/mol
LogP4.07
Rot. Bonds5

About [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(3-bromophenyl)-4-methylpentanoate

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(3-bromophenyl)-4-methylpentanoate (PubChem CID 10948974) has the molecular formula C18H23BrO4 and a molecular weight of 383.28 g/mol. Its IUPAC name is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(3-bromophenyl)-4-methylpentanoate.

Molecular Properties

Compound Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(3-bromophenyl)-4-methylpentanoate
PubChem CID10948974
Molecular FormulaC18H23BrO4
Molecular Weight383.28 g/mol
Exact Mass382.08
IUPAC Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(3-bromophenyl)-4-methylpentanoate
SMILESCC(C)C[C@@H](C(=O)O[C@H]1C(=O)OCC1(C)C)c1cccc(Br)c1
InChIInChI=1S/C18H23BrO4/c1-11(2)8-14(12-6-5-7-13(19)9-12)16(20)23-15-17(21)22-10-18(15,3)4/h5-7,9,11,14-15H,8,10H2,1-4H3/t14-,15+/m1/s1
InChIKeyLHHKVVSSBMDARM-CABCVRRESA-N
XLogP4.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(3-bromophenyl)-4-methylpentanoate?
The IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(3-bromophenyl)-4-methylpentanoate (CID 10948974) is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(3-bromophenyl)-4-methylpentanoate.
What is the SMILES notation for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(3-bromophenyl)-4-methylpentanoate?
The canonical SMILES for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(3-bromophenyl)-4-methylpentanoate is CC(C)C[C@@H](C(=O)O[C@H]1C(=O)OCC1(C)C)c1cccc(Br)c1.
What is the InChIKey of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(3-bromophenyl)-4-methylpentanoate?
The InChIKey is LHHKVVSSBMDARM-CABCVRRESA-N. The full InChI is InChI=1S/C18H23BrO4/c1-11(2)8-14(12-6-5-7-13(19)9-12)16(20)23-15-17(21)22-10-18(15,3)4/h5-7,9,11,14-15H,8,10H2,1-4H3/t14-,15+/m1/s1.
What are the key properties of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(3-bromophenyl)-4-methylpentanoate?
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(3-bromophenyl)-4-methylpentanoate has a molecular weight of 383.28 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(3-bromophenyl)-4-methylpentanoate is sourced from PubChem (CID 10948974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).