(5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-one

C12H14O3 — CID 10632081

IUPAC(5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)[C@H](Cc2ccccc2)O1
InChIInChI=1S/C12H14O3/c1-12(2)14-10(11(13)15-12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m0/s1
InChIKeyQLNFEMZFWFIBGL-JTQLQIEISA-N
MW206.24 g/mol
LogP1.91
Rot. Bonds2

About (5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-one

(5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-one (PubChem CID 10632081) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-one
PubChem CID10632081
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)[C@H](Cc2ccccc2)O1
InChIInChI=1S/C12H14O3/c1-12(2)14-10(11(13)15-12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m0/s1
InChIKeyQLNFEMZFWFIBGL-JTQLQIEISA-N
XLogP1.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-one?
The IUPAC name of (5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-one (CID 10632081) is (5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-one.
What is the SMILES notation for (5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-one?
The canonical SMILES for (5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-one is CC1(C)OC(=O)[C@H](Cc2ccccc2)O1.
What is the InChIKey of (5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-one?
The InChIKey is QLNFEMZFWFIBGL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14O3/c1-12(2)14-10(11(13)15-12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-one?
(5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-one has a molecular weight of 206.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-one is sourced from PubChem (CID 10632081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).