2-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-2-yl]propan-2-yl propanoate

C30H36O2 — CID 70389793

IUPAC2-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-2-yl]propan-2-yl propanoate
SMILESCCC(=O)OC(C)(C)c1ccc2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc2c1
InChIInChI=1S/C30H36O2/c1-8-27(31)32-30(6,7)24-13-11-21-17-20(9-10-22(21)18-24)23-12-14-25-26(19-23)29(4,5)16-15-28(25,2)3/h9-14,17-19H,8,15-16H2,1-7H3
InChIKeyGSCCQIGMNSFZST-UHFFFAOYSA-N
MW428.62 g/mol
LogP8.04
Rot. Bonds4

About 2-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-2-yl]propan-2-yl propanoate

2-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-2-yl]propan-2-yl propanoate (PubChem CID 70389793) has the molecular formula C30H36O2 and a molecular weight of 428.62 g/mol. Its IUPAC name is 2-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-2-yl]propan-2-yl propanoate.

Molecular Properties

Compound Name2-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-2-yl]propan-2-yl propanoate
PubChem CID70389793
Molecular FormulaC30H36O2
Molecular Weight428.62 g/mol
Exact Mass428.27
IUPAC Name2-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-2-yl]propan-2-yl propanoate
SMILESCCC(=O)OC(C)(C)c1ccc2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc2c1
InChIInChI=1S/C30H36O2/c1-8-27(31)32-30(6,7)24-13-11-21-17-20(9-10-22(21)18-24)23-12-14-25-26(19-23)29(4,5)16-15-28(25,2)3/h9-14,17-19H,8,15-16H2,1-7H3
InChIKeyGSCCQIGMNSFZST-UHFFFAOYSA-N
XLogP8.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-2-yl]propan-2-yl propanoate?
The IUPAC name of 2-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-2-yl]propan-2-yl propanoate (CID 70389793) is 2-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-2-yl]propan-2-yl propanoate.
What is the SMILES notation for 2-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-2-yl]propan-2-yl propanoate?
The canonical SMILES for 2-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-2-yl]propan-2-yl propanoate is CCC(=O)OC(C)(C)c1ccc2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc2c1.
What is the InChIKey of 2-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-2-yl]propan-2-yl propanoate?
The InChIKey is GSCCQIGMNSFZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36O2/c1-8-27(31)32-30(6,7)24-13-11-21-17-20(9-10-22(21)18-24)23-12-14-25-26(19-23)29(4,5)16-15-28(25,2)3/h9-14,17-19H,8,15-16H2,1-7H3.
What are the key properties of 2-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-2-yl]propan-2-yl propanoate?
2-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-2-yl]propan-2-yl propanoate has a molecular weight of 428.62 g/mol, XLogP of 8.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-2-yl]propan-2-yl propanoate is sourced from PubChem (CID 70389793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).