13-methyl-13-phenyl-2,4,9,11-tetraoxadispiro[5.0.57.16]tridecane

C16H20O4 — CID 102474294

IUPAC13-methyl-13-phenyl-2,4,9,11-tetraoxadispiro[5.0.57.16]tridecane
SMILESCC1(c2ccccc2)C2(COCOC2)C12COCOC2
InChIInChI=1S/C16H20O4/c1-14(13-5-3-2-4-6-13)15(7-17-11-18-8-15)16(14)9-19-12-20-10-16/h2-6H,7-12H2,1H3
InChIKeyZRYXKKCHMITYGE-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.94
Rot. Bonds1

About 13-methyl-13-phenyl-2,4,9,11-tetraoxadispiro[5.0.57.16]tridecane

13-methyl-13-phenyl-2,4,9,11-tetraoxadispiro[5.0.57.16]tridecane (PubChem CID 102474294) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 13-methyl-13-phenyl-2,4,9,11-tetraoxadispiro[5.0.57.16]tridecane.

Molecular Properties

Compound Name13-methyl-13-phenyl-2,4,9,11-tetraoxadispiro[5.0.57.16]tridecane
PubChem CID102474294
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name13-methyl-13-phenyl-2,4,9,11-tetraoxadispiro[5.0.57.16]tridecane
SMILESCC1(c2ccccc2)C2(COCOC2)C12COCOC2
InChIInChI=1S/C16H20O4/c1-14(13-5-3-2-4-6-13)15(7-17-11-18-8-15)16(14)9-19-12-20-10-16/h2-6H,7-12H2,1H3
InChIKeyZRYXKKCHMITYGE-UHFFFAOYSA-N
XLogP1.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methyl-2-phenyloxirane
CID 11629614
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
2,2-dibromo-1-methyl-1-phenylspiro[2.2]pentane
CID 46918541
2-methyl-2-phenyl-1,4-dioxane
CID 154111008
4-methyl-4-phenyl-1,6-dioxaspiro[2.3]hexane
CID 10773606
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
2,2-dimethyloxirane;naphthalene
CID 175358693
trimethyl-[(2S)-2-phenyloxiran-2-yl]silane
CID 135037115
2-(2-iodophenyl)-2-phenyloxirane
CID 10870963
2,2-dimethyl-3-phenyloxetan-3-ol
CID 121217401
(2-bromo-2-fluoro-1,3,3-trimethylcyclopropyl)benzene
CID 134986145
3-phenyloxetan-3-amine;hydrochloride
CID 53256980

Frequently Asked Questions

What is the IUPAC name of 13-methyl-13-phenyl-2,4,9,11-tetraoxadispiro[5.0.57.16]tridecane?
The IUPAC name of 13-methyl-13-phenyl-2,4,9,11-tetraoxadispiro[5.0.57.16]tridecane (CID 102474294) is 13-methyl-13-phenyl-2,4,9,11-tetraoxadispiro[5.0.57.16]tridecane.
What is the SMILES notation for 13-methyl-13-phenyl-2,4,9,11-tetraoxadispiro[5.0.57.16]tridecane?
The canonical SMILES for 13-methyl-13-phenyl-2,4,9,11-tetraoxadispiro[5.0.57.16]tridecane is CC1(c2ccccc2)C2(COCOC2)C12COCOC2.
What is the InChIKey of 13-methyl-13-phenyl-2,4,9,11-tetraoxadispiro[5.0.57.16]tridecane?
The InChIKey is ZRYXKKCHMITYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-14(13-5-3-2-4-6-13)15(7-17-11-18-8-15)16(14)9-19-12-20-10-16/h2-6H,7-12H2,1H3.
What are the key properties of 13-methyl-13-phenyl-2,4,9,11-tetraoxadispiro[5.0.57.16]tridecane?
13-methyl-13-phenyl-2,4,9,11-tetraoxadispiro[5.0.57.16]tridecane has a molecular weight of 276.33 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-13-phenyl-2,4,9,11-tetraoxadispiro[5.0.57.16]tridecane is sourced from PubChem (CID 102474294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).