2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane

C25H34O7 — CID 12934420

IUPAC2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane
SMILESc1ccc(C2(c3ccccc3)OCCOCCOCCOCCOCCOCCO2)cc1
InChIInChI=1S/C25H34O7/c1-3-7-23(8-4-1)25(24-9-5-2-6-10-24)31-21-19-29-17-15-27-13-11-26-12-14-28-16-18-30-20-22-32-25/h1-10H,11-22H2
InChIKeySUFRZWHTOSHECF-UHFFFAOYSA-N
MW446.54 g/mol
LogP3.02
Rot. Bonds2

About 2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane

2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane (PubChem CID 12934420) has the molecular formula C25H34O7 and a molecular weight of 446.54 g/mol. Its IUPAC name is 2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane.

Molecular Properties

Compound Name2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane
PubChem CID12934420
Molecular FormulaC25H34O7
Molecular Weight446.54 g/mol
Exact Mass446.23
IUPAC Name2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane
SMILESc1ccc(C2(c3ccccc3)OCCOCCOCCOCCOCCOCCO2)cc1
InChIInChI=1S/C25H34O7/c1-3-7-23(8-4-1)25(24-9-5-2-6-10-24)31-21-19-29-17-15-27-13-11-26-12-14-28-16-18-30-20-22-32-25/h1-10H,11-22H2
InChIKeySUFRZWHTOSHECF-UHFFFAOYSA-N
XLogP3.02
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methanol
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2-[3-bromo-4-(1,3-dioxolan-2-yl)phenyl]-2-phenyl-1,3-dioxolane
CID 58404118
2-(4-methylphenyl)-2-phenyl-1,4-dioxane
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CID 18715598
2-phenyl-1,3-dioxolane-2-carbaldehyde
CID 11686994
8,8-dimethyl-1-phenyl-10,13,14-trioxatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene
CID 85159246
2-phenyl-2-(phenylsulfanylmethyl)-1,3-dioxolane
CID 15417317
1-(5-methyl-2,2-diphenyl-1,3-dioxan-5-yl)ethanone
CID 90221549
5-chloro-2-[[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methyl]-1,2-thiazol-3-one
CID 58775887
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CID 126480378

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane?
The IUPAC name of 2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane (CID 12934420) is 2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane.
What is the SMILES notation for 2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane?
The canonical SMILES for 2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane is c1ccc(C2(c3ccccc3)OCCOCCOCCOCCOCCOCCO2)cc1.
What is the InChIKey of 2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane?
The InChIKey is SUFRZWHTOSHECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O7/c1-3-7-23(8-4-1)25(24-9-5-2-6-10-24)31-21-19-29-17-15-27-13-11-26-12-14-28-16-18-30-20-22-32-25/h1-10H,11-22H2.
What are the key properties of 2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane?
2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane has a molecular weight of 446.54 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane is sourced from PubChem (CID 12934420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).