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

C12H14O2 — CID 6277770

IUPAC2-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane
SMILESCC1(/C=C/c2ccccc2)OCCO1
InChIInChI=1S/C12H14O2/c1-12(13-9-10-14-12)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+
InChIKeyBBOPFUCPQMGEJY-BQYQJAHWSA-N
MW190.24 g/mol
LogP2.46
Rot. Bonds2

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

2-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane (PubChem CID 6277770) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane
PubChem CID6277770
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane
SMILESCC1(/C=C/c2ccccc2)OCCO1
InChIInChI=1S/C12H14O2/c1-12(13-9-10-14-12)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+
InChIKeyBBOPFUCPQMGEJY-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 2-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane (CID 6277770) is 2-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane is CC1(/C=C/c2ccccc2)OCCO1.
What is the InChIKey of 2-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane?
The InChIKey is BBOPFUCPQMGEJY-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H14O2/c1-12(13-9-10-14-12)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+.
What are the key properties of 2-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane?
2-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 2-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane is sourced from PubChem (CID 6277770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).