2-(7,8-dihydro-6H-benzo[7]annulen-6-yl)-5,5-dimethyl-2-(2-methyl-2,3,7,8-tetrahydronaphthalen-1-yl)-1,3-dioxane

C28H34O2 — CID 126606889

IUPAC2-(7,8-dihydro-6H-benzo[7]annulen-6-yl)-5,5-dimethyl-2-(2-methyl-2,3,7,8-tetrahydronaphthalen-1-yl)-1,3-dioxane
SMILESCC1CC=C2C=CCCC2=C1C1(C2C=c3ccccc3=CCC2)OCC(C)(C)CO1
InChIInChI=1S/C28H34O2/c1-20-15-16-22-10-6-7-14-25(22)26(20)28(29-18-27(2,3)19-30-28)24-13-8-12-21-9-4-5-11-23(21)17-24/h4-6,9-12,16-17,20,24H,7-8,13-15,18-19H2,1-3H3
InChIKeyRGCYDBJFEPMQKO-UHFFFAOYSA-N
MW402.58 g/mol
LogP5.04
Rot. Bonds2

About 2-(7,8-dihydro-6H-benzo[7]annulen-6-yl)-5,5-dimethyl-2-(2-methyl-2,3,7,8-tetrahydronaphthalen-1-yl)-1,3-dioxane

2-(7,8-dihydro-6H-benzo[7]annulen-6-yl)-5,5-dimethyl-2-(2-methyl-2,3,7,8-tetrahydronaphthalen-1-yl)-1,3-dioxane (PubChem CID 126606889) has the molecular formula C28H34O2 and a molecular weight of 402.58 g/mol. Its IUPAC name is 2-(7,8-dihydro-6H-benzo[7]annulen-6-yl)-5,5-dimethyl-2-(2-methyl-2,3,7,8-tetrahydronaphthalen-1-yl)-1,3-dioxane.

Molecular Properties

Compound Name2-(7,8-dihydro-6H-benzo[7]annulen-6-yl)-5,5-dimethyl-2-(2-methyl-2,3,7,8-tetrahydronaphthalen-1-yl)-1,3-dioxane
PubChem CID126606889
Molecular FormulaC28H34O2
Molecular Weight402.58 g/mol
Exact Mass402.26
IUPAC Name2-(7,8-dihydro-6H-benzo[7]annulen-6-yl)-5,5-dimethyl-2-(2-methyl-2,3,7,8-tetrahydronaphthalen-1-yl)-1,3-dioxane
SMILESCC1CC=C2C=CCCC2=C1C1(C2C=c3ccccc3=CCC2)OCC(C)(C)CO1
InChIInChI=1S/C28H34O2/c1-20-15-16-22-10-6-7-14-25(22)26(20)28(29-18-27(2,3)19-30-28)24-13-8-12-21-9-4-5-11-23(21)17-24/h4-6,9-12,16-17,20,24H,7-8,13-15,18-19H2,1-3H3
InChIKeyRGCYDBJFEPMQKO-UHFFFAOYSA-N
XLogP5.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(7,8-dihydro-6H-benzo[7]annulen-6-yl)-5,5-dimethyl-2-(2-methyl-2,3,7,8-tetrahydronaphthalen-1-yl)-1,3-dioxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dihydro-6H-benzo[7]annulen-6-yl)-5,5-dimethyl-2-(2-methyl-2,3,7,8-tetrahydronaphthalen-1-yl)-1,3-dioxane?
The IUPAC name of 2-(7,8-dihydro-6H-benzo[7]annulen-6-yl)-5,5-dimethyl-2-(2-methyl-2,3,7,8-tetrahydronaphthalen-1-yl)-1,3-dioxane (CID 126606889) is 2-(7,8-dihydro-6H-benzo[7]annulen-6-yl)-5,5-dimethyl-2-(2-methyl-2,3,7,8-tetrahydronaphthalen-1-yl)-1,3-dioxane.
What is the SMILES notation for 2-(7,8-dihydro-6H-benzo[7]annulen-6-yl)-5,5-dimethyl-2-(2-methyl-2,3,7,8-tetrahydronaphthalen-1-yl)-1,3-dioxane?
The canonical SMILES for 2-(7,8-dihydro-6H-benzo[7]annulen-6-yl)-5,5-dimethyl-2-(2-methyl-2,3,7,8-tetrahydronaphthalen-1-yl)-1,3-dioxane is CC1CC=C2C=CCCC2=C1C1(C2C=c3ccccc3=CCC2)OCC(C)(C)CO1.
What is the InChIKey of 2-(7,8-dihydro-6H-benzo[7]annulen-6-yl)-5,5-dimethyl-2-(2-methyl-2,3,7,8-tetrahydronaphthalen-1-yl)-1,3-dioxane?
The InChIKey is RGCYDBJFEPMQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O2/c1-20-15-16-22-10-6-7-14-25(22)26(20)28(29-18-27(2,3)19-30-28)24-13-8-12-21-9-4-5-11-23(21)17-24/h4-6,9-12,16-17,20,24H,7-8,13-15,18-19H2,1-3H3.
What are the key properties of 2-(7,8-dihydro-6H-benzo[7]annulen-6-yl)-5,5-dimethyl-2-(2-methyl-2,3,7,8-tetrahydronaphthalen-1-yl)-1,3-dioxane?
2-(7,8-dihydro-6H-benzo[7]annulen-6-yl)-5,5-dimethyl-2-(2-methyl-2,3,7,8-tetrahydronaphthalen-1-yl)-1,3-dioxane has a molecular weight of 402.58 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dihydro-6H-benzo[7]annulen-6-yl)-5,5-dimethyl-2-(2-methyl-2,3,7,8-tetrahydronaphthalen-1-yl)-1,3-dioxane is sourced from PubChem (CID 126606889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).