1,3-dioxolane;ethane

C7H18O2 — CID 91327375

IUPAC1,3-dioxolane;ethane
SMILESC1COCO1.CC.CC
InChIInChI=1S/C3H6O2.2C2H6/c1-2-5-3-4-1;2*1-2/h1-3H2;2*1-2H3
InChIKeyKWPIDNIPXPXVJN-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.04
Rot. Bonds

About 1,3-dioxolane;ethane

1,3-dioxolane;ethane (PubChem CID 91327375) has the molecular formula C7H18O2 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1,3-dioxolane;ethane.

Molecular Properties

Compound Name1,3-dioxolane;ethane
PubChem CID91327375
Molecular FormulaC7H18O2
Molecular Weight134.22 g/mol
Exact Mass134.13
IUPAC Name1,3-dioxolane;ethane
SMILESC1COCO1.CC.CC
InChIInChI=1S/C3H6O2.2C2H6/c1-2-5-3-4-1;2*1-2/h1-3H2;2*1-2H3
InChIKeyKWPIDNIPXPXVJN-UHFFFAOYSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolane;ethane?
The IUPAC name of 1,3-dioxolane;ethane (CID 91327375) is 1,3-dioxolane;ethane.
What is the SMILES notation for 1,3-dioxolane;ethane?
The canonical SMILES for 1,3-dioxolane;ethane is C1COCO1.CC.CC.
What is the InChIKey of 1,3-dioxolane;ethane?
The InChIKey is KWPIDNIPXPXVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.2C2H6/c1-2-5-3-4-1;2*1-2/h1-3H2;2*1-2H3.
What are the key properties of 1,3-dioxolane;ethane?
1,3-dioxolane;ethane has a molecular weight of 134.22 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolane;ethane is sourced from PubChem (CID 91327375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).