(2R,5R)-2-cyclopenta-1,2,4-trien-1-yl-5-methyl-4,4-diphenyl-1,3-dioxolane

C21H18O2 — CID 177403969

IUPAC(2R,5R)-2-cyclopenta-1,2,4-trien-1-yl-5-methyl-4,4-diphenyl-1,3-dioxolane
SMILESC[C@H]1O[C@@H](C2=C=CC=C2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18O2/c1-16-21(18-12-4-2-5-13-18,19-14-6-3-7-15-19)23-20(22-16)17-10-8-9-11-17/h2-10,12-16,20H,1H3/t16-,20-/m1/s1
InChIKeyBYJXDFPKBWOPDU-OXQOHEQNSA-N
MW302.37 g/mol
LogP4.34
Rot. Bonds3

About (2R,5R)-2-cyclopenta-1,2,4-trien-1-yl-5-methyl-4,4-diphenyl-1,3-dioxolane

(2R,5R)-2-cyclopenta-1,2,4-trien-1-yl-5-methyl-4,4-diphenyl-1,3-dioxolane (PubChem CID 177403969) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2R,5R)-2-cyclopenta-1,2,4-trien-1-yl-5-methyl-4,4-diphenyl-1,3-dioxolane.

Molecular Properties

Compound Name(2R,5R)-2-cyclopenta-1,2,4-trien-1-yl-5-methyl-4,4-diphenyl-1,3-dioxolane
PubChem CID177403969
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name(2R,5R)-2-cyclopenta-1,2,4-trien-1-yl-5-methyl-4,4-diphenyl-1,3-dioxolane
SMILESC[C@H]1O[C@@H](C2=C=CC=C2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18O2/c1-16-21(18-12-4-2-5-13-18,19-14-6-3-7-15-19)23-20(22-16)17-10-8-9-11-17/h2-10,12-16,20H,1H3/t16-,20-/m1/s1
InChIKeyBYJXDFPKBWOPDU-OXQOHEQNSA-N
XLogP4.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-cyclopenta-1,2,4-trien-1-yl-5-methyl-4,4-diphenyl-1,3-dioxolane?
The IUPAC name of (2R,5R)-2-cyclopenta-1,2,4-trien-1-yl-5-methyl-4,4-diphenyl-1,3-dioxolane (CID 177403969) is (2R,5R)-2-cyclopenta-1,2,4-trien-1-yl-5-methyl-4,4-diphenyl-1,3-dioxolane.
What is the SMILES notation for (2R,5R)-2-cyclopenta-1,2,4-trien-1-yl-5-methyl-4,4-diphenyl-1,3-dioxolane?
The canonical SMILES for (2R,5R)-2-cyclopenta-1,2,4-trien-1-yl-5-methyl-4,4-diphenyl-1,3-dioxolane is C[C@H]1O[C@@H](C2=C=CC=C2)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,5R)-2-cyclopenta-1,2,4-trien-1-yl-5-methyl-4,4-diphenyl-1,3-dioxolane?
The InChIKey is BYJXDFPKBWOPDU-OXQOHEQNSA-N. The full InChI is InChI=1S/C21H18O2/c1-16-21(18-12-4-2-5-13-18,19-14-6-3-7-15-19)23-20(22-16)17-10-8-9-11-17/h2-10,12-16,20H,1H3/t16-,20-/m1/s1.
What are the key properties of (2R,5R)-2-cyclopenta-1,2,4-trien-1-yl-5-methyl-4,4-diphenyl-1,3-dioxolane?
(2R,5R)-2-cyclopenta-1,2,4-trien-1-yl-5-methyl-4,4-diphenyl-1,3-dioxolane has a molecular weight of 302.37 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-cyclopenta-1,2,4-trien-1-yl-5-methyl-4,4-diphenyl-1,3-dioxolane is sourced from PubChem (CID 177403969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).