4-prop-1-enyl-1,3-dioxole

C6H8O2 — CID 141171884

IUPAC4-prop-1-enyl-1,3-dioxole
SMILESCC=CC1=COCO1
InChIInChI=1S/C6H8O2/c1-2-3-6-4-7-5-8-6/h2-4H,5H2,1H3
InChIKeyCEFABTCBTQPGTJ-UHFFFAOYSA-N
MW112.13 g/mol
LogP1.41
Rot. Bonds1

About 4-prop-1-enyl-1,3-dioxole

4-prop-1-enyl-1,3-dioxole (PubChem CID 141171884) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 4-prop-1-enyl-1,3-dioxole.

Molecular Properties

Compound Name4-prop-1-enyl-1,3-dioxole
PubChem CID141171884
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name4-prop-1-enyl-1,3-dioxole
SMILESCC=CC1=COCO1
InChIInChI=1S/C6H8O2/c1-2-3-6-4-7-5-8-6/h2-4H,5H2,1H3
InChIKeyCEFABTCBTQPGTJ-UHFFFAOYSA-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

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Related Compounds

4-[(Z)-prop-1-enyl]-1,3-dioxole
CID 126669496
4-(2,3-dihydro-1,4-dioxin-5-yl)but-3-en-2-one
CID 71394565
5-prop-1-enyl-3H-furan-2-one
CID 85106623
5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxine
CID 146396950
5-(4H-1,3-dioxin-5-yl)-4H-1,3-dioxine
CID 13275526
5-(1,3-dioxol-4-ylmethylidene)-2-sulfanylidene-1,3-oxazolidin-4-one
CID 57021513
8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine
CID 143586852
4-(4,4-dimethylpent-1-enyl)-5-prop-1-enyl-1,3-dioxole
CID 91221875
4-[(Z)-prop-1-enyl]-1,3-benzodioxole
CID 89214713
4-[(E)-prop-1-enyl]-1,3-benzodioxole
CID 102486201
ethane;4-ethenyl-1,3-dioxole;4-(2-methylprop-2-enyl)-2-[(3E)-penta-1,3-dien-3-yl]-1,2,4-thiadiazolidine-3,5-dione;(Z)-pent-2-ene
CID 143274925
1,3-dioxol-4-ylboronic acid
CID 22362287

Frequently Asked Questions

What is the IUPAC name of 4-prop-1-enyl-1,3-dioxole?
The IUPAC name of 4-prop-1-enyl-1,3-dioxole (CID 141171884) is 4-prop-1-enyl-1,3-dioxole.
What is the SMILES notation for 4-prop-1-enyl-1,3-dioxole?
The canonical SMILES for 4-prop-1-enyl-1,3-dioxole is CC=CC1=COCO1.
What is the InChIKey of 4-prop-1-enyl-1,3-dioxole?
The InChIKey is CEFABTCBTQPGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-2-3-6-4-7-5-8-6/h2-4H,5H2,1H3.
What are the key properties of 4-prop-1-enyl-1,3-dioxole?
4-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-prop-1-enyl-1,3-dioxole is sourced from PubChem (CID 141171884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).