2,2-dimethyl-5,5-bis(3-phenylprop-2-ynyl)-1,3-dioxane

C24H24O2 — CID 11462069

IUPAC2,2-dimethyl-5,5-bis(3-phenylprop-2-ynyl)-1,3-dioxane
SMILESCC1(C)OCC(CC#Cc2ccccc2)(CC#Cc2ccccc2)CO1
InChIInChI=1S/C24H24O2/c1-23(2)25-19-24(20-26-23,17-9-15-21-11-5-3-6-12-21)18-10-16-22-13-7-4-8-14-22/h3-8,11-14H,17-20H2,1-2H3
InChIKeySVGWCOKGZMDMLA-UHFFFAOYSA-N
MW344.45 g/mol
LogP4.64
Rot. Bonds2

About 2,2-dimethyl-5,5-bis(3-phenylprop-2-ynyl)-1,3-dioxane

2,2-dimethyl-5,5-bis(3-phenylprop-2-ynyl)-1,3-dioxane (PubChem CID 11462069) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2,2-dimethyl-5,5-bis(3-phenylprop-2-ynyl)-1,3-dioxane.

Molecular Properties

Compound Name2,2-dimethyl-5,5-bis(3-phenylprop-2-ynyl)-1,3-dioxane
PubChem CID11462069
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name2,2-dimethyl-5,5-bis(3-phenylprop-2-ynyl)-1,3-dioxane
SMILESCC1(C)OCC(CC#Cc2ccccc2)(CC#Cc2ccccc2)CO1
InChIInChI=1S/C24H24O2/c1-23(2)25-19-24(20-26-23,17-9-15-21-11-5-3-6-12-21)18-10-16-22-13-7-4-8-14-22/h3-8,11-14H,17-20H2,1-2H3
InChIKeySVGWCOKGZMDMLA-UHFFFAOYSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[4-methyl-1-(3-phenylprop-2-ynyl)cyclohexyl]methanamine
CID 114277559
2-[2,2-dimethyl-5-(4-phenylmethoxybut-2-ynyl)-1,3-dioxan-5-yl]acetaldehyde
CID 135086074
1-(3-phenylprop-2-ynyl)cyclopropane-1-carbaldehyde
CID 131187593
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
2,2-dimethyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine
CID 62341051
1-(3-phenylprop-2-ynyl)cyclopropane-1-sulfonyl chloride
CID 165490580
methyl 5-(iodomethyl)-5-methyl-2-oxo-3-(3-phenylprop-2-ynyl)oxolane-3-carboxylate
CID 135016521
but-1-ynylbenzene;2-methylprop-1-ene
CID 164573656
[1-[(3-phenylprop-2-ynylamino)methyl]cyclohexyl]methanol
CID 103966358
2-[[1-(3-phenylprop-2-ynyl)cyclohexyl]methylamino]acetic acid
CID 11066027
1,3-bis(3-phenylprop-2-ynyl)imidazolidine
CID 133188423
3-phenyl-N-propylprop-2-yn-1-amine
CID 4717506

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5,5-bis(3-phenylprop-2-ynyl)-1,3-dioxane?
The IUPAC name of 2,2-dimethyl-5,5-bis(3-phenylprop-2-ynyl)-1,3-dioxane (CID 11462069) is 2,2-dimethyl-5,5-bis(3-phenylprop-2-ynyl)-1,3-dioxane.
What is the SMILES notation for 2,2-dimethyl-5,5-bis(3-phenylprop-2-ynyl)-1,3-dioxane?
The canonical SMILES for 2,2-dimethyl-5,5-bis(3-phenylprop-2-ynyl)-1,3-dioxane is CC1(C)OCC(CC#Cc2ccccc2)(CC#Cc2ccccc2)CO1.
What is the InChIKey of 2,2-dimethyl-5,5-bis(3-phenylprop-2-ynyl)-1,3-dioxane?
The InChIKey is SVGWCOKGZMDMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2/c1-23(2)25-19-24(20-26-23,17-9-15-21-11-5-3-6-12-21)18-10-16-22-13-7-4-8-14-22/h3-8,11-14H,17-20H2,1-2H3.
What are the key properties of 2,2-dimethyl-5,5-bis(3-phenylprop-2-ynyl)-1,3-dioxane?
2,2-dimethyl-5,5-bis(3-phenylprop-2-ynyl)-1,3-dioxane has a molecular weight of 344.45 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5,5-bis(3-phenylprop-2-ynyl)-1,3-dioxane is sourced from PubChem (CID 11462069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).