(2,4,5-13C3)1,3-dioxolan-2-one

C3H4O3 — CID 66995588

IUPAC(2,4,5-13C3)1,3-dioxolan-2-one
SMILESO=[13C]1O[13CH2][13CH2]O1
InChIInChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2/i1+1,2+1,3+1
InChIKeyKMTRUDSVKNLOMY-VMIGTVKRSA-N
MW91.04 g/mol
LogP0.15
Rot. Bonds

About (2,4,5-13C3)1,3-dioxolan-2-one

(2,4,5-13C3)1,3-dioxolan-2-one (PubChem CID 66995588) has the molecular formula C3H4O3 and a molecular weight of 91.04 g/mol. Its IUPAC name is (2,4,5-13C3)1,3-dioxolan-2-one.

Molecular Properties

Compound Name(2,4,5-13C3)1,3-dioxolan-2-one
PubChem CID66995588
Molecular FormulaC3H4O3
Molecular Weight91.04 g/mol
Exact Mass91.03
IUPAC Name(2,4,5-13C3)1,3-dioxolan-2-one
SMILESO=[13C]1O[13CH2][13CH2]O1
InChIInChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2/i1+1,2+1,3+1
InChIKeyKMTRUDSVKNLOMY-VMIGTVKRSA-N
XLogP0.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.04
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4,5-13C3)1,3-dioxolan-2-one?
The IUPAC name of (2,4,5-13C3)1,3-dioxolan-2-one (CID 66995588) is (2,4,5-13C3)1,3-dioxolan-2-one.
What is the SMILES notation for (2,4,5-13C3)1,3-dioxolan-2-one?
The canonical SMILES for (2,4,5-13C3)1,3-dioxolan-2-one is O=[13C]1O[13CH2][13CH2]O1.
What is the InChIKey of (2,4,5-13C3)1,3-dioxolan-2-one?
The InChIKey is KMTRUDSVKNLOMY-VMIGTVKRSA-N. The full InChI is InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2/i1+1,2+1,3+1.
What are the key properties of (2,4,5-13C3)1,3-dioxolan-2-one?
(2,4,5-13C3)1,3-dioxolan-2-one has a molecular weight of 91.04 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,5-13C3)1,3-dioxolan-2-one is sourced from PubChem (CID 66995588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).