(4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane

C21H26O2 — CID 15482722

IUPAC(4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane
SMILESCC1(C)O[C@@H](CCc2ccccc2)[C@H](CCc2ccccc2)O1
InChIInChI=1S/C21H26O2/c1-21(2)22-19(15-13-17-9-5-3-6-10-17)20(23-21)16-14-18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/t19-,20-/m0/s1
InChIKeyZVDALXNSFKNULM-PMACEKPBSA-N
MW310.44 g/mol
LogP4.77
Rot. Bonds6

About (4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane

(4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane (PubChem CID 15482722) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is (4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane
PubChem CID15482722
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name(4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane
SMILESCC1(C)O[C@@H](CCc2ccccc2)[C@H](CCc2ccccc2)O1
InChIInChI=1S/C21H26O2/c1-21(2)22-19(15-13-17-9-5-3-6-10-17)20(23-21)16-14-18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/t19-,20-/m0/s1
InChIKeyZVDALXNSFKNULM-PMACEKPBSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[(4R,5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]prop-2-enoate
CID 91478787
(2S)-2-azido-2-[(4S,5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]ethanol
CID 91318607
trimethyl-[3-(2-phenylethyl)-2-trimethylsilyloxiran-2-yl]silane
CID 11380801
(5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 123528686
[(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 118379229
(4R,6R)-2,2-dimethyl-4-(2-phenylethyl)-6-undecyl-1,3-dioxane
CID 102467906
N-benzyl-1-[(4S,5S)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine
CID 129433805
benzyl-[[(4R,5R)-5-[[benzyl(diphenyl)phosphaniumyl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-diphenylphosphanium
CID 97182330
(4R,5R)-4-heptyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxolane
CID 56594681
(2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane
CID 131860879
2-[2-[(5R)-2,2-dimethyl-5-(2-phenylethyl)-1,3-dioxolan-4-yl]ethoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 134389559
methyl 2-[(4R,6R)-2,2-dimethyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate
CID 10541678

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane?
The IUPAC name of (4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane (CID 15482722) is (4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane?
The canonical SMILES for (4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane is CC1(C)O[C@@H](CCc2ccccc2)[C@H](CCc2ccccc2)O1.
What is the InChIKey of (4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane?
The InChIKey is ZVDALXNSFKNULM-PMACEKPBSA-N. The full InChI is InChI=1S/C21H26O2/c1-21(2)22-19(15-13-17-9-5-3-6-10-17)20(23-21)16-14-18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of (4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane?
(4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane has a molecular weight of 310.44 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane is sourced from PubChem (CID 15482722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).