4,5-bis(prop-1-en-2-yl)-1,3-dioxole

C9H12O2 — CID 144533747

IUPAC4,5-bis(prop-1-en-2-yl)-1,3-dioxole
SMILESC=C(C)C1=C(C(=C)C)OCO1
InChIInChI=1S/C9H12O2/c1-6(2)8-9(7(3)4)11-5-10-8/h1,3,5H2,2,4H3
InChIKeyGVNHHGMEQBVAMK-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.35
Rot. Bonds2

About 4,5-bis(prop-1-en-2-yl)-1,3-dioxole

4,5-bis(prop-1-en-2-yl)-1,3-dioxole (PubChem CID 144533747) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4,5-bis(prop-1-en-2-yl)-1,3-dioxole.

Molecular Properties

Compound Name4,5-bis(prop-1-en-2-yl)-1,3-dioxole
PubChem CID144533747
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4,5-bis(prop-1-en-2-yl)-1,3-dioxole
SMILESC=C(C)C1=C(C(=C)C)OCO1
InChIInChI=1S/C9H12O2/c1-6(2)8-9(7(3)4)11-5-10-8/h1,3,5H2,2,4H3
InChIKeyGVNHHGMEQBVAMK-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-bis(prop-1-en-2-yl)-2,3-dihydrofuran
CID 143818485
1-(5-propan-2-yl-1,3-dioxol-4-yl)ethenethiol
CID 163629387
5-ethynyl-6-prop-1-en-2-yl-2,3-dihydro-1,4-oxathiine
CID 142914783
ethane;(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-dioxolane
CID 156867966
5-propan-2-ylidene-1,3-dioxane-4,6-dione
CID 58663306
3,3-difluoro-5-(4-methylpent-2-en-3-yl)-4-prop-1-en-2-yl-2H-furan
CID 91266850
4,5-dimethyl-1,3-dioxole
CID 13058524
5-prop-1-en-2-yl-1,3-dioxan-2-one
CID 58893193
4,5-bis(prop-1-en-2-yl)-2H-imidazole;ethane
CID 144672099
1-(1,3-benzodioxol-5-yl)ethanone;ethene
CID 143061160
1-(3-methylbut-1-en-2-yl)-2-prop-1-en-2-ylcyclopentene
CID 144672215
5-methoxy-4,6-dimethyl-7-(3-methylbut-3-en-1-ynyl)-1,3-benzodioxole
CID 58521537

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(prop-1-en-2-yl)-1,3-dioxole?
The IUPAC name of 4,5-bis(prop-1-en-2-yl)-1,3-dioxole (CID 144533747) is 4,5-bis(prop-1-en-2-yl)-1,3-dioxole.
What is the SMILES notation for 4,5-bis(prop-1-en-2-yl)-1,3-dioxole?
The canonical SMILES for 4,5-bis(prop-1-en-2-yl)-1,3-dioxole is C=C(C)C1=C(C(=C)C)OCO1.
What is the InChIKey of 4,5-bis(prop-1-en-2-yl)-1,3-dioxole?
The InChIKey is GVNHHGMEQBVAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-6(2)8-9(7(3)4)11-5-10-8/h1,3,5H2,2,4H3.
What are the key properties of 4,5-bis(prop-1-en-2-yl)-1,3-dioxole?
4,5-bis(prop-1-en-2-yl)-1,3-dioxole has a molecular weight of 152.19 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(prop-1-en-2-yl)-1,3-dioxole is sourced from PubChem (CID 144533747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).