4-[(Z)-prop-1-enyl]-1,3-dioxole

C6H8O2 — CID 126669496

IUPAC4-[(Z)-prop-1-enyl]-1,3-dioxole
SMILESC/C=C\C1=COCO1
InChIInChI=1S/C6H8O2/c1-2-3-6-4-7-5-8-6/h2-4H,5H2,1H3/b3-2-
InChIKeyCEFABTCBTQPGTJ-IHWYPQMZSA-N
MW112.13 g/mol
LogP1.41
Rot. Bonds1

About 4-[(Z)-prop-1-enyl]-1,3-dioxole

4-[(Z)-prop-1-enyl]-1,3-dioxole (PubChem CID 126669496) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 4-[(Z)-prop-1-enyl]-1,3-dioxole.

Molecular Properties

Compound Name4-[(Z)-prop-1-enyl]-1,3-dioxole
PubChem CID126669496
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name4-[(Z)-prop-1-enyl]-1,3-dioxole
SMILESC/C=C\C1=COCO1
InChIInChI=1S/C6H8O2/c1-2-3-6-4-7-5-8-6/h2-4H,5H2,1H3/b3-2-
InChIKeyCEFABTCBTQPGTJ-IHWYPQMZSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(Z)-prop-1-enyl]-1,3-dioxole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-prop-1-enyl]-1,3-dioxole?
The IUPAC name of 4-[(Z)-prop-1-enyl]-1,3-dioxole (CID 126669496) is 4-[(Z)-prop-1-enyl]-1,3-dioxole.
What is the SMILES notation for 4-[(Z)-prop-1-enyl]-1,3-dioxole?
The canonical SMILES for 4-[(Z)-prop-1-enyl]-1,3-dioxole is C/C=C\C1=COCO1.
What is the InChIKey of 4-[(Z)-prop-1-enyl]-1,3-dioxole?
The InChIKey is CEFABTCBTQPGTJ-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H8O2/c1-2-3-6-4-7-5-8-6/h2-4H,5H2,1H3/b3-2-.
What are the key properties of 4-[(Z)-prop-1-enyl]-1,3-dioxole?
4-[(Z)-prop-1-enyl]-1,3-dioxole has a molecular weight of 112.13 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-prop-1-enyl]-1,3-dioxole is sourced from PubChem (CID 126669496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).