2-propylidene-1,3-dioxole

C6H8O2 — CID 141300846

IUPAC2-propylidene-1,3-dioxole
SMILESCCC=C1OC=CO1
InChIInChI=1S/C6H8O2/c1-2-3-6-7-4-5-8-6/h3-5H,2H2,1H3
InChIKeyPSPBKJTUAXPXEG-UHFFFAOYSA-N
MW112.13 g/mol
LogP1.76
Rot. Bonds1

About 2-propylidene-1,3-dioxole

2-propylidene-1,3-dioxole (PubChem CID 141300846) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-propylidene-1,3-dioxole.

Molecular Properties

Compound Name2-propylidene-1,3-dioxole
PubChem CID141300846
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name2-propylidene-1,3-dioxole
SMILESCCC=C1OC=CO1
InChIInChI=1S/C6H8O2/c1-2-3-6-7-4-5-8-6/h3-5H,2H2,1H3
InChIKeyPSPBKJTUAXPXEG-UHFFFAOYSA-N
XLogP1.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z)-2-propylidene-1,3-benzodioxin-4-one
CID 142022031
(4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-dioxolane
CID 89377812
ethane;(5Z,6E)-5-ethylidene-6-propylidene-2H-pyran;methanol
CID 143106531
(4E,5E)-4-ethylidene-5-propylidene-1,3-dioxolane
CID 88980689
1,3-di(propylidene)cyclobutane
CID 123878518
ethane;(6Z)-5-methylidene-6-propylidenecyclohexa-1,3-diene
CID 145022062
[(2Z)-2-propylideneaziridin-1-yl]phosphane
CID 163423533
(2E,3Z,6E)-5-ethenyl-2-ethylidene-3-prop-2-enylidene-6-propylidenepyran
CID 155095674
(2E,3Z)-2-ethylidene-3-propylideneoxolane
CID 142121655
3-but-1-enyl-1,2-oxazole
CID 174758223
5,6-di(propylidene)bicyclo[2.2.1]hept-2-ene
CID 141101625
(4Z)-7-propylidenecycloocta-1,4-diene
CID 177007426

Frequently Asked Questions

What is the IUPAC name of 2-propylidene-1,3-dioxole?
The IUPAC name of 2-propylidene-1,3-dioxole (CID 141300846) is 2-propylidene-1,3-dioxole.
What is the SMILES notation for 2-propylidene-1,3-dioxole?
The canonical SMILES for 2-propylidene-1,3-dioxole is CCC=C1OC=CO1.
What is the InChIKey of 2-propylidene-1,3-dioxole?
The InChIKey is PSPBKJTUAXPXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-2-3-6-7-4-5-8-6/h3-5H,2H2,1H3.
What are the key properties of 2-propylidene-1,3-dioxole?
2-propylidene-1,3-dioxole has a molecular weight of 112.13 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylidene-1,3-dioxole is sourced from PubChem (CID 141300846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).