5,5-bis(ethoxymethyl)-2-phenyl-1,3-dioxane

C16H24O4 — CID 12857507

IUPAC5,5-bis(ethoxymethyl)-2-phenyl-1,3-dioxane
SMILESCCOCC1(COCC)COC(c2ccccc2)OC1
InChIInChI=1S/C16H24O4/c1-3-17-10-16(11-18-4-2)12-19-15(20-13-16)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeySOQSKOGSERPTGC-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.79
Rot. Bonds7

About 5,5-bis(ethoxymethyl)-2-phenyl-1,3-dioxane

5,5-bis(ethoxymethyl)-2-phenyl-1,3-dioxane (PubChem CID 12857507) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 5,5-bis(ethoxymethyl)-2-phenyl-1,3-dioxane.

Molecular Properties

Compound Name5,5-bis(ethoxymethyl)-2-phenyl-1,3-dioxane
PubChem CID12857507
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name5,5-bis(ethoxymethyl)-2-phenyl-1,3-dioxane
SMILESCCOCC1(COCC)COC(c2ccccc2)OC1
InChIInChI=1S/C16H24O4/c1-3-17-10-16(11-18-4-2)12-19-15(20-13-16)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeySOQSKOGSERPTGC-UHFFFAOYSA-N
XLogP2.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane
CID 12721367
ethane;2-phenyl-5,5-bis(prop-2-ynoxymethyl)-1,3-dioxane
CID 142452502
5-(hexadecoxymethyl)-5-[(4-methoxyphenyl)methoxymethyl]-2-phenyl-1,3-dioxane
CID 101060339
5-(decoxymethyl)-5-methyl-2-phenyl-1,3-dioxane
CID 166060654
9H-fluoren-9-ylmethyl N-[2-[[5-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxymethyl]-2-phenyl-1,3-dioxan-5-yl]methoxy]ethyl]carbamate
CID 134275765
5-(dimethoxymethyl)-5-methyl-2-phenyl-1,3-dioxane
CID 11207486
methyl 5-methyl-2-phenyl-1,3-dioxane-5-carboxylate
CID 142132815
(5-methyl-2-phenyl-1,3-dioxan-5-yl)methyl 2-methylprop-2-enoate
CID 88985259
S-[3-acetylsulfanyl-2-[[5-[3-acetylsulfanyl-2-(acetylsulfanylmethyl)propyl]-2-phenyl-1,3-dioxan-5-yl]methyl]propyl] ethanethioate
CID 59283304
2-(4-ethoxyphenyl)-5,5-dimethyl-1,3-dioxane
CID 70936321
1-(ethoxymethyl)-2-phenylcyclohexan-1-ol
CID 79566677
3-(ethoxymethyl)-3-(phenoxymethyl)pyrrolidine
CID 135330011

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(ethoxymethyl)-2-phenyl-1,3-dioxane?
The IUPAC name of 5,5-bis(ethoxymethyl)-2-phenyl-1,3-dioxane (CID 12857507) is 5,5-bis(ethoxymethyl)-2-phenyl-1,3-dioxane.
What is the SMILES notation for 5,5-bis(ethoxymethyl)-2-phenyl-1,3-dioxane?
The canonical SMILES for 5,5-bis(ethoxymethyl)-2-phenyl-1,3-dioxane is CCOCC1(COCC)COC(c2ccccc2)OC1.
What is the InChIKey of 5,5-bis(ethoxymethyl)-2-phenyl-1,3-dioxane?
The InChIKey is SOQSKOGSERPTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-3-17-10-16(11-18-4-2)12-19-15(20-13-16)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3.
What are the key properties of 5,5-bis(ethoxymethyl)-2-phenyl-1,3-dioxane?
5,5-bis(ethoxymethyl)-2-phenyl-1,3-dioxane has a molecular weight of 280.36 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(ethoxymethyl)-2-phenyl-1,3-dioxane is sourced from PubChem (CID 12857507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).