4,7-ditert-butyl-1,2-dihydroacenaphthylene

C20H26 — CID 2801638

IUPAC4,7-ditert-butyl-1,2-dihydroacenaphthylene
SMILESCC(C)(C)c1cc2c3c(cc(C(C)(C)C)cc3c1)CC2
InChIInChI=1S/C20H26/c1-19(2,3)16-9-13-7-8-14-10-17(20(4,5)6)12-15(11-16)18(13)14/h9-12H,7-8H2,1-6H3
InChIKeyQSKBIWMIBNANPR-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.53
Rot. Bonds

About 4,7-ditert-butyl-1,2-dihydroacenaphthylene

4,7-ditert-butyl-1,2-dihydroacenaphthylene (PubChem CID 2801638) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 4,7-ditert-butyl-1,2-dihydroacenaphthylene.

Molecular Properties

Compound Name4,7-ditert-butyl-1,2-dihydroacenaphthylene
PubChem CID2801638
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name4,7-ditert-butyl-1,2-dihydroacenaphthylene
SMILESCC(C)(C)c1cc2c3c(cc(C(C)(C)C)cc3c1)CC2
InChIInChI=1S/C20H26/c1-19(2,3)16-9-13-7-8-14-10-17(20(4,5)6)12-15(11-16)18(13)14/h9-12H,7-8H2,1-6H3
InChIKeyQSKBIWMIBNANPR-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,7-ditert-butyl-1,2-dihydroacenaphthylene?
The IUPAC name of 4,7-ditert-butyl-1,2-dihydroacenaphthylene (CID 2801638) is 4,7-ditert-butyl-1,2-dihydroacenaphthylene.
What is the SMILES notation for 4,7-ditert-butyl-1,2-dihydroacenaphthylene?
The canonical SMILES for 4,7-ditert-butyl-1,2-dihydroacenaphthylene is CC(C)(C)c1cc2c3c(cc(C(C)(C)C)cc3c1)CC2.
What is the InChIKey of 4,7-ditert-butyl-1,2-dihydroacenaphthylene?
The InChIKey is QSKBIWMIBNANPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-19(2,3)16-9-13-7-8-14-10-17(20(4,5)6)12-15(11-16)18(13)14/h9-12H,7-8H2,1-6H3.
What are the key properties of 4,7-ditert-butyl-1,2-dihydroacenaphthylene?
4,7-ditert-butyl-1,2-dihydroacenaphthylene has a molecular weight of 266.43 g/mol, XLogP of 5.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-ditert-butyl-1,2-dihydroacenaphthylene is sourced from PubChem (CID 2801638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).