(4S,5S)-2,2-dimethyl-4-[(E)-2-phenylethenyl]-5-(phenylmethoxymethyl)-1,3-dioxolane

C21H24O3 — CID 11313344

IUPAC(4S,5S)-2,2-dimethyl-4-[(E)-2-phenylethenyl]-5-(phenylmethoxymethyl)-1,3-dioxolane
SMILESCC1(C)O[C@@H](/C=C/c2ccccc2)[C@H](COCc2ccccc2)O1
InChIInChI=1S/C21H24O3/c1-21(2)23-19(14-13-17-9-5-3-6-10-17)20(24-21)16-22-15-18-11-7-4-8-12-18/h3-14,19-20H,15-16H2,1-2H3/b14-13+/t19-,20-/m0/s1
InChIKeyJURCKYNZUUDUOP-JAPHFTBRSA-N
MW324.42 g/mol
LogP4.44
Rot. Bonds6

About (4S,5S)-2,2-dimethyl-4-[(E)-2-phenylethenyl]-5-(phenylmethoxymethyl)-1,3-dioxolane

(4S,5S)-2,2-dimethyl-4-[(E)-2-phenylethenyl]-5-(phenylmethoxymethyl)-1,3-dioxolane (PubChem CID 11313344) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is (4S,5S)-2,2-dimethyl-4-[(E)-2-phenylethenyl]-5-(phenylmethoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-2,2-dimethyl-4-[(E)-2-phenylethenyl]-5-(phenylmethoxymethyl)-1,3-dioxolane
PubChem CID11313344
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name(4S,5S)-2,2-dimethyl-4-[(E)-2-phenylethenyl]-5-(phenylmethoxymethyl)-1,3-dioxolane
SMILESCC1(C)O[C@@H](/C=C/c2ccccc2)[C@H](COCc2ccccc2)O1
InChIInChI=1S/C21H24O3/c1-21(2)23-19(14-13-17-9-5-3-6-10-17)20(24-21)16-22-15-18-11-7-4-8-12-18/h3-14,19-20H,15-16H2,1-2H3/b14-13+/t19-,20-/m0/s1
InChIKeyJURCKYNZUUDUOP-JAPHFTBRSA-N
XLogP4.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzaldehyde propylene glycol acetal
CID 595928
(Diethoxymethyl)benzene
CID 69884
1,3-Dioxan-5-ol, 2-phenyl-
CID 74362
1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
4-Phenyl-1,3-dioxane
CID 92840
1,3-Dioxolane-4-methanol, 2-phenyl-
CID 15572
Bis(1-phenylethyl) ether
CID 62342
1,3-Dioxane, 2,4,6-trimethyl-4-phenyl-
CID 107381
2-Phenyl-1,3-dioxolane
CID 70293
2,5,5-Trimethyl-2-phenyl-1,3-dioxane
CID 79409
1,1-Dibenzyloxy-2-phenylethane
CID 95980
1,3-Dioxolane, 2-methyl-4-phenyl-
CID 118119

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2,2-dimethyl-4-[(E)-2-phenylethenyl]-5-(phenylmethoxymethyl)-1,3-dioxolane?
The IUPAC name of (4S,5S)-2,2-dimethyl-4-[(E)-2-phenylethenyl]-5-(phenylmethoxymethyl)-1,3-dioxolane (CID 11313344) is (4S,5S)-2,2-dimethyl-4-[(E)-2-phenylethenyl]-5-(phenylmethoxymethyl)-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-2,2-dimethyl-4-[(E)-2-phenylethenyl]-5-(phenylmethoxymethyl)-1,3-dioxolane?
The canonical SMILES for (4S,5S)-2,2-dimethyl-4-[(E)-2-phenylethenyl]-5-(phenylmethoxymethyl)-1,3-dioxolane is CC1(C)O[C@@H](/C=C/c2ccccc2)[C@H](COCc2ccccc2)O1.
What is the InChIKey of (4S,5S)-2,2-dimethyl-4-[(E)-2-phenylethenyl]-5-(phenylmethoxymethyl)-1,3-dioxolane?
The InChIKey is JURCKYNZUUDUOP-JAPHFTBRSA-N. The full InChI is InChI=1S/C21H24O3/c1-21(2)23-19(14-13-17-9-5-3-6-10-17)20(24-21)16-22-15-18-11-7-4-8-12-18/h3-14,19-20H,15-16H2,1-2H3/b14-13+/t19-,20-/m0/s1.
What are the key properties of (4S,5S)-2,2-dimethyl-4-[(E)-2-phenylethenyl]-5-(phenylmethoxymethyl)-1,3-dioxolane?
(4S,5S)-2,2-dimethyl-4-[(E)-2-phenylethenyl]-5-(phenylmethoxymethyl)-1,3-dioxolane has a molecular weight of 324.42 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2,2-dimethyl-4-[(E)-2-phenylethenyl]-5-(phenylmethoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 11313344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).