1,3-dioxolane;oxolane

C7H14O3 — CID 23437621

IUPAC1,3-dioxolane;oxolane
SMILESC1CCOC1.C1COCO1
InChIInChI=1S/C4H8O.C3H6O2/c1-2-4-5-3-1;1-2-5-3-4-1/h1-4H2;1-3H2
InChIKeyKLGXCEHWTGXRSP-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.79
Rot. Bonds

About 1,3-dioxolane;oxolane

1,3-dioxolane;oxolane (PubChem CID 23437621) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1,3-dioxolane;oxolane.

Molecular Properties

Compound Name1,3-dioxolane;oxolane
PubChem CID23437621
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name1,3-dioxolane;oxolane
SMILESC1CCOC1.C1COCO1
InChIInChI=1S/C4H8O.C3H6O2/c1-2-4-5-3-1;1-2-5-3-4-1/h1-4H2;1-3H2
InChIKeyKLGXCEHWTGXRSP-UHFFFAOYSA-N
XLogP0.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,6-trioxacyclohexadecane
CID 139860202
1,3-dioxacycloheptadecane
CID 54126867
1,2,5-trioxonane
CID 59717904
1,3,5,7,10,13-hexaoxacyclopentadecane
CID 15396088
1,4,7-trioxacyclotridecane
CID 118017817
potassium;1,4,7,10,13,16-hexaoxacyclooctadecane;oxolane
CID 5232581
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,3,6,8-tetraoxecane
CID 19993864
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
1,2,5-trioxecane
CID 21461492
1,3,5,7-tetraoxecane
CID 172810218
manganese;oxolane
CID 70504486

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolane;oxolane?
The IUPAC name of 1,3-dioxolane;oxolane (CID 23437621) is 1,3-dioxolane;oxolane.
What is the SMILES notation for 1,3-dioxolane;oxolane?
The canonical SMILES for 1,3-dioxolane;oxolane is C1CCOC1.C1COCO1.
What is the InChIKey of 1,3-dioxolane;oxolane?
The InChIKey is KLGXCEHWTGXRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H6O2/c1-2-4-5-3-1;1-2-5-3-4-1/h1-4H2;1-3H2.
What are the key properties of 1,3-dioxolane;oxolane?
1,3-dioxolane;oxolane has a molecular weight of 146.19 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolane;oxolane is sourced from PubChem (CID 23437621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).