carbon dioxide;oxetane

C4H6O3 — CID 175222774

IUPACcarbon dioxide;oxetane
SMILESC1COC1.O=C=O
InChIInChI=1S/C3H6O.CO2/c1-2-4-3-1;2-1-3/h1-3H2;
InChIKeyILLXXXMSISSRSA-UHFFFAOYSA-N
MW102.09 g/mol
LogP-0.18
Rot. Bonds

About carbon dioxide;oxetane

carbon dioxide;oxetane (PubChem CID 175222774) has the molecular formula C4H6O3 and a molecular weight of 102.09 g/mol. Its IUPAC name is carbon dioxide;oxetane.

Molecular Properties

Compound Namecarbon dioxide;oxetane
PubChem CID175222774
Molecular FormulaC4H6O3
Molecular Weight102.09 g/mol
Exact Mass102.03
IUPAC Namecarbon dioxide;oxetane
SMILESC1COC1.O=C=O
InChIInChI=1S/C3H6O.CO2/c1-2-4-3-1;2-1-3/h1-3H2;
InChIKeyILLXXXMSISSRSA-UHFFFAOYSA-N
XLogP-0.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

isocyanic acid;oxolane
CID 172680140
isocyanic acid;oxirane
CID 87411148
1,5,10,14-tetraoxacyclooctadecane
CID 57048709
1,3-dioxane;formaldehyde
CID 143804327
formaldehyde;oxolane
CID 174849713
methane;2-methylpropane;oxetane
CID 160642963
1,3,5,7-tetraoxecane
CID 172810218
carbon dioxide;methane
CID 157336071
carbon dioxide;thorium
CID 159435095
cyclobutane;1,4-dioxane
CID 160886837
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;oxetane?
The IUPAC name of carbon dioxide;oxetane (CID 175222774) is carbon dioxide;oxetane.
What is the SMILES notation for carbon dioxide;oxetane?
The canonical SMILES for carbon dioxide;oxetane is C1COC1.O=C=O.
What is the InChIKey of carbon dioxide;oxetane?
The InChIKey is ILLXXXMSISSRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.CO2/c1-2-4-3-1;2-1-3/h1-3H2;.
What are the key properties of carbon dioxide;oxetane?
carbon dioxide;oxetane has a molecular weight of 102.09 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;oxetane is sourced from PubChem (CID 175222774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).