4-methylidene-5-propyl-1,3-dioxolan-2-one

C7H10O3 — CID 57483319

IUPAC4-methylidene-5-propyl-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1CCC
InChIInChI=1S/C7H10O3/c1-3-4-6-5(2)9-7(8)10-6/h6H,2-4H2,1H3
InChIKeyYUJCJPIMAQKEBG-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.84
Rot. Bonds2

About 4-methylidene-5-propyl-1,3-dioxolan-2-one

4-methylidene-5-propyl-1,3-dioxolan-2-one (PubChem CID 57483319) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-methylidene-5-propyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-methylidene-5-propyl-1,3-dioxolan-2-one
PubChem CID57483319
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-methylidene-5-propyl-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1CCC
InChIInChI=1S/C7H10O3/c1-3-4-6-5(2)9-7(8)10-6/h6H,2-4H2,1H3
InChIKeyYUJCJPIMAQKEBG-UHFFFAOYSA-N
XLogP1.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-5-propyl-1,3-dioxolan-2-one?
The IUPAC name of 4-methylidene-5-propyl-1,3-dioxolan-2-one (CID 57483319) is 4-methylidene-5-propyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-methylidene-5-propyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-methylidene-5-propyl-1,3-dioxolan-2-one is C=C1OC(=O)OC1CCC.
What is the InChIKey of 4-methylidene-5-propyl-1,3-dioxolan-2-one?
The InChIKey is YUJCJPIMAQKEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-4-6-5(2)9-7(8)10-6/h6H,2-4H2,1H3.
What are the key properties of 4-methylidene-5-propyl-1,3-dioxolan-2-one?
4-methylidene-5-propyl-1,3-dioxolan-2-one has a molecular weight of 142.15 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-5-propyl-1,3-dioxolan-2-one is sourced from PubChem (CID 57483319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).