2,6-ditert-butyl-1,4-dihydronaphthalene

C18H26 — CID 10263787

IUPAC2,6-ditert-butyl-1,4-dihydronaphthalene
SMILESCC(C)(C)C1=CCc2cc(C(C)(C)C)ccc2C1
InChIInChI=1S/C18H26/c1-17(2,3)15-9-7-14-12-16(18(4,5)6)10-8-13(14)11-15/h7,9-11H,8,12H2,1-6H3
InChIKeyCNXSPUMDDXTRQI-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.06
Rot. Bonds

About 2,6-ditert-butyl-1,4-dihydronaphthalene

2,6-ditert-butyl-1,4-dihydronaphthalene (PubChem CID 10263787) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 2,6-ditert-butyl-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2,6-ditert-butyl-1,4-dihydronaphthalene
PubChem CID10263787
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name2,6-ditert-butyl-1,4-dihydronaphthalene
SMILESCC(C)(C)C1=CCc2cc(C(C)(C)C)ccc2C1
InChIInChI=1S/C18H26/c1-17(2,3)15-9-7-14-12-16(18(4,5)6)10-8-13(14)11-15/h7,9-11H,8,12H2,1-6H3
InChIKeyCNXSPUMDDXTRQI-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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2-tert-butyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
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6,13-ditert-butyl-4-(chloromethyl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 14692240
6-tert-butyl-2,3-dimethylidene-1H-indene
CID 58981235
3,6-ditert-butyl-3,4-dihydro-1H-naphthalen-2-one
CID 13466563
2,6-ditert-butyl-9H-fluorene;dichlorotitanium
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CID 23078665
CID 23078665
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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-1,4-dihydronaphthalene?
The IUPAC name of 2,6-ditert-butyl-1,4-dihydronaphthalene (CID 10263787) is 2,6-ditert-butyl-1,4-dihydronaphthalene.
What is the SMILES notation for 2,6-ditert-butyl-1,4-dihydronaphthalene?
The canonical SMILES for 2,6-ditert-butyl-1,4-dihydronaphthalene is CC(C)(C)C1=CCc2cc(C(C)(C)C)ccc2C1.
What is the InChIKey of 2,6-ditert-butyl-1,4-dihydronaphthalene?
The InChIKey is CNXSPUMDDXTRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-17(2,3)15-9-7-14-12-16(18(4,5)6)10-8-13(14)11-15/h7,9-11H,8,12H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-1,4-dihydronaphthalene?
2,6-ditert-butyl-1,4-dihydronaphthalene has a molecular weight of 242.41 g/mol, XLogP of 5.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-1,4-dihydronaphthalene is sourced from PubChem (CID 10263787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).