2-[(E)-2-(furan-2-yl)ethenyl]-4-methyl-1,3-dioxolane

C10H12O3 — CID 44631270

IUPAC2-[(E)-2-(furan-2-yl)ethenyl]-4-methyl-1,3-dioxolane
SMILESCC1COC(/C=C/c2ccco2)O1
InChIInChI=1S/C10H12O3/c1-8-7-12-10(13-8)5-4-9-3-2-6-11-9/h2-6,8,10H,7H2,1H3/b5-4+
InChIKeyXPRRSKMOCXGHHE-SNAWJCMRSA-N
MW180.20 g/mol
LogP2.05
Rot. Bonds2

About 2-[(E)-2-(furan-2-yl)ethenyl]-4-methyl-1,3-dioxolane

2-[(E)-2-(furan-2-yl)ethenyl]-4-methyl-1,3-dioxolane (PubChem CID 44631270) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-[(E)-2-(furan-2-yl)ethenyl]-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-2-(furan-2-yl)ethenyl]-4-methyl-1,3-dioxolane
PubChem CID44631270
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-[(E)-2-(furan-2-yl)ethenyl]-4-methyl-1,3-dioxolane
SMILESCC1COC(/C=C/c2ccco2)O1
InChIInChI=1S/C10H12O3/c1-8-7-12-10(13-8)5-4-9-3-2-6-11-9/h2-6,8,10H,7H2,1H3/b5-4+
InChIKeyXPRRSKMOCXGHHE-SNAWJCMRSA-N
XLogP2.05
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(E)-2-(furan-2-yl)ethenyl]-4-methyl-1,3-dioxolane with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[5-[2-(furan-2-yl)ethenyl]oxolan-2-yl]ethenyl]furan
CID 123596794
2-[(E)-2-(furan-2-yl)ethenyl]-1,4-dioxane
CID 102501403
2-[2-(5-ethenyloxolan-2-yl)ethenyl]furan
CID 123575076
2-[(Z)-2-chloroethenyl]furan
CID 11389398
2-tert-butyl-3-[(E)-2-(furan-2-yl)ethenyl]oxaziridine
CID 23241191
(E)-2-(furan-2-yl)ethenethiol
CID 87339498
(2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
CID 93475595
(5S)-5-[(Z)-2-(furan-2-yl)ethenyl]pyrrolidin-2-one
CID 131234360
2-[(E)-2-fluoroethenyl]furan
CID 145208016
2-[(E)-2-bromoethenyl]furan
CID 10899150
2-[(E)-2-(5-methylidenespiro[2.3]hexan-2-yl)ethenyl]furan
CID 166442666
2-[2-[2-[2-(furan-2-yl)ethenyl]phenyl]ethenyl]furan
CID 91360504

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-4-methyl-1,3-dioxolane?
The IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-4-methyl-1,3-dioxolane (CID 44631270) is 2-[(E)-2-(furan-2-yl)ethenyl]-4-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-2-(furan-2-yl)ethenyl]-4-methyl-1,3-dioxolane?
The canonical SMILES for 2-[(E)-2-(furan-2-yl)ethenyl]-4-methyl-1,3-dioxolane is CC1COC(/C=C/c2ccco2)O1.
What is the InChIKey of 2-[(E)-2-(furan-2-yl)ethenyl]-4-methyl-1,3-dioxolane?
The InChIKey is XPRRSKMOCXGHHE-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H12O3/c1-8-7-12-10(13-8)5-4-9-3-2-6-11-9/h2-6,8,10H,7H2,1H3/b5-4+.
What are the key properties of 2-[(E)-2-(furan-2-yl)ethenyl]-4-methyl-1,3-dioxolane?
2-[(E)-2-(furan-2-yl)ethenyl]-4-methyl-1,3-dioxolane has a molecular weight of 180.20 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(furan-2-yl)ethenyl]-4-methyl-1,3-dioxolane is sourced from PubChem (CID 44631270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).