(4S,5R)-2,2-dimethyl-4,5-diphenyl-1,3-dioxolane

C17H18O2 — CID 15262695

IUPAC(4S,5R)-2,2-dimethyl-4,5-diphenyl-1,3-dioxolane
SMILESCC1(C)O[C@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C17H18O2/c1-17(2)18-15(13-9-5-3-6-10-13)16(19-17)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16+
InChIKeyBCVTUPLNURAZHB-IYBDPMFKSA-N
MW254.33 g/mol
LogP4.25
Rot. Bonds2

About (4S,5R)-2,2-dimethyl-4,5-diphenyl-1,3-dioxolane

(4S,5R)-2,2-dimethyl-4,5-diphenyl-1,3-dioxolane (PubChem CID 15262695) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (4S,5R)-2,2-dimethyl-4,5-diphenyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5R)-2,2-dimethyl-4,5-diphenyl-1,3-dioxolane
PubChem CID15262695
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(4S,5R)-2,2-dimethyl-4,5-diphenyl-1,3-dioxolane
SMILESCC1(C)O[C@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C17H18O2/c1-17(2)18-15(13-9-5-3-6-10-13)16(19-17)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16+
InChIKeyBCVTUPLNURAZHB-IYBDPMFKSA-N
XLogP4.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2,2-dimethyl-4,5-diphenyl-1,3-dioxolane?
The IUPAC name of (4S,5R)-2,2-dimethyl-4,5-diphenyl-1,3-dioxolane (CID 15262695) is (4S,5R)-2,2-dimethyl-4,5-diphenyl-1,3-dioxolane.
What is the SMILES notation for (4S,5R)-2,2-dimethyl-4,5-diphenyl-1,3-dioxolane?
The canonical SMILES for (4S,5R)-2,2-dimethyl-4,5-diphenyl-1,3-dioxolane is CC1(C)O[C@H](c2ccccc2)[C@H](c2ccccc2)O1.
What is the InChIKey of (4S,5R)-2,2-dimethyl-4,5-diphenyl-1,3-dioxolane?
The InChIKey is BCVTUPLNURAZHB-IYBDPMFKSA-N. The full InChI is InChI=1S/C17H18O2/c1-17(2)18-15(13-9-5-3-6-10-13)16(19-17)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16+.
What are the key properties of (4S,5R)-2,2-dimethyl-4,5-diphenyl-1,3-dioxolane?
(4S,5R)-2,2-dimethyl-4,5-diphenyl-1,3-dioxolane has a molecular weight of 254.33 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2,2-dimethyl-4,5-diphenyl-1,3-dioxolane is sourced from PubChem (CID 15262695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).