bis[1-(oxetan-3-yl)propyl] carbonate

C13H22O5 — CID 70159713

IUPACbis[1-(oxetan-3-yl)propyl] carbonate
SMILESCCC(OC(=O)OC(CC)C1COC1)C1COC1
InChIInChI=1S/C13H22O5/c1-3-11(9-5-15-6-9)17-13(14)18-12(4-2)10-7-16-8-10/h9-12H,3-8H2,1-2H3
InChIKeyIFLXYIAAQHDKNO-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.99
Rot. Bonds6

About bis[1-(oxetan-3-yl)propyl] carbonate

bis[1-(oxetan-3-yl)propyl] carbonate (PubChem CID 70159713) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is bis[1-(oxetan-3-yl)propyl] carbonate.

Molecular Properties

Compound Namebis[1-(oxetan-3-yl)propyl] carbonate
PubChem CID70159713
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Namebis[1-(oxetan-3-yl)propyl] carbonate
SMILESCCC(OC(=O)OC(CC)C1COC1)C1COC1
InChIInChI=1S/C13H22O5/c1-3-11(9-5-15-6-9)17-13(14)18-12(4-2)10-7-16-8-10/h9-12H,3-8H2,1-2H3
InChIKeyIFLXYIAAQHDKNO-UHFFFAOYSA-N
XLogP1.99
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis[1-(oxetan-3-yl)propyl] carbonate?
The IUPAC name of bis[1-(oxetan-3-yl)propyl] carbonate (CID 70159713) is bis[1-(oxetan-3-yl)propyl] carbonate.
What is the SMILES notation for bis[1-(oxetan-3-yl)propyl] carbonate?
The canonical SMILES for bis[1-(oxetan-3-yl)propyl] carbonate is CCC(OC(=O)OC(CC)C1COC1)C1COC1.
What is the InChIKey of bis[1-(oxetan-3-yl)propyl] carbonate?
The InChIKey is IFLXYIAAQHDKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c1-3-11(9-5-15-6-9)17-13(14)18-12(4-2)10-7-16-8-10/h9-12H,3-8H2,1-2H3.
What are the key properties of bis[1-(oxetan-3-yl)propyl] carbonate?
bis[1-(oxetan-3-yl)propyl] carbonate has a molecular weight of 258.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(oxetan-3-yl)propyl] carbonate is sourced from PubChem (CID 70159713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).