2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxane

C22H34O2 — CID 3584528

IUPAC2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxane
SMILESCCc1cc2c(cc1C1(C)OCCC(C)O1)C(C)(C)CCC2(C)C
InChIInChI=1S/C22H34O2/c1-8-16-13-18-19(21(5,6)11-10-20(18,3)4)14-17(16)22(7)23-12-9-15(2)24-22/h13-15H,8-12H2,1-7H3
InChIKeyCTSMPXQDFPRJET-UHFFFAOYSA-N
MW330.51 g/mol
LogP5.60
Rot. Bonds2

About 2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxane

2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxane (PubChem CID 3584528) has the molecular formula C22H34O2 and a molecular weight of 330.51 g/mol. Its IUPAC name is 2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxane
PubChem CID3584528
Molecular FormulaC22H34O2
Molecular Weight330.51 g/mol
Exact Mass330.26
IUPAC Name2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxane
SMILESCCc1cc2c(cc1C1(C)OCCC(C)O1)C(C)(C)CCC2(C)C
InChIInChI=1S/C22H34O2/c1-8-16-13-18-19(21(5,6)11-10-20(18,3)4)14-17(16)22(7)23-12-9-15(2)24-22/h13-15H,8-12H2,1-7H3
InChIKeyCTSMPXQDFPRJET-UHFFFAOYSA-N
XLogP5.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.51
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxane?
The IUPAC name of 2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxane (CID 3584528) is 2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxane?
The canonical SMILES for 2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxane is CCc1cc2c(cc1C1(C)OCCC(C)O1)C(C)(C)CCC2(C)C.
What is the InChIKey of 2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxane?
The InChIKey is CTSMPXQDFPRJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O2/c1-8-16-13-18-19(21(5,6)11-10-20(18,3)4)14-17(16)22(7)23-12-9-15(2)24-22/h13-15H,8-12H2,1-7H3.
What are the key properties of 2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxane?
2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxane has a molecular weight of 330.51 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxane is sourced from PubChem (CID 3584528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).