4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane

C12H14O2 — CID 6017272

IUPAC4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane
SMILESCC1COC(/C=C/c2ccccc2)O1
InChIInChI=1S/C12H14O2/c1-10-9-13-12(14-10)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+
InChIKeyMQLAQZSLFAOEAK-BQYQJAHWSA-N
MW190.24 g/mol
LogP2.46
Rot. Bonds2

About 4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane

4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane (PubChem CID 6017272) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane.

Molecular Properties

Compound Name4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane
PubChem CID6017272
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane
SMILESCC1COC(/C=C/c2ccccc2)O1
InChIInChI=1S/C12H14O2/c1-10-9-13-12(14-10)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+
InChIKeyMQLAQZSLFAOEAK-BQYQJAHWSA-N
XLogP2.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane?
The IUPAC name of 4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane (CID 6017272) is 4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane.
What is the SMILES notation for 4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane?
The canonical SMILES for 4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane is CC1COC(/C=C/c2ccccc2)O1.
What is the InChIKey of 4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane?
The InChIKey is MQLAQZSLFAOEAK-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H14O2/c1-10-9-13-12(14-10)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+.
What are the key properties of 4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane?
4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane has a molecular weight of 190.24 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane is sourced from PubChem (CID 6017272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).