2-(4-methylphenyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxane

C26H34O2 — CID 143414269

IUPAC2-(4-methylphenyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxane
SMILESCc1ccc(C2(c3cc4c(cc3C)C(C)(C)CCC4(C)C)OCCCO2)cc1
InChIInChI=1S/C26H34O2/c1-18-8-10-20(11-9-18)26(27-14-7-15-28-26)21-17-23-22(16-19(21)2)24(3,4)12-13-25(23,5)6/h8-11,16-17H,7,12-15H2,1-6H3
InChIKeyJTQQIHACIMCBGF-UHFFFAOYSA-N
MW378.56 g/mol
LogP6.29
Rot. Bonds2

About 2-(4-methylphenyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxane

2-(4-methylphenyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxane (PubChem CID 143414269) has the molecular formula C26H34O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxane.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxane
PubChem CID143414269
Molecular FormulaC26H34O2
Molecular Weight378.56 g/mol
Exact Mass378.26
IUPAC Name2-(4-methylphenyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxane
SMILESCc1ccc(C2(c3cc4c(cc3C)C(C)(C)CCC4(C)C)OCCCO2)cc1
InChIInChI=1S/C26H34O2/c1-18-8-10-20(11-9-18)26(27-14-7-15-28-26)21-17-23-22(16-19(21)2)24(3,4)12-13-25(23,5)6/h8-11,16-17H,7,12-15H2,1-6H3
InChIKeyJTQQIHACIMCBGF-UHFFFAOYSA-N
XLogP6.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxane?
The IUPAC name of 2-(4-methylphenyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxane (CID 143414269) is 2-(4-methylphenyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxane.
What is the SMILES notation for 2-(4-methylphenyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxane?
The canonical SMILES for 2-(4-methylphenyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxane is Cc1ccc(C2(c3cc4c(cc3C)C(C)(C)CCC4(C)C)OCCCO2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxane?
The InChIKey is JTQQIHACIMCBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O2/c1-18-8-10-20(11-9-18)26(27-14-7-15-28-26)21-17-23-22(16-19(21)2)24(3,4)12-13-25(23,5)6/h8-11,16-17H,7,12-15H2,1-6H3.
What are the key properties of 2-(4-methylphenyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxane?
2-(4-methylphenyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxane has a molecular weight of 378.56 g/mol, XLogP of 6.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxane is sourced from PubChem (CID 143414269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).