2-tert-butyl-1-methyl-2H-acenaphthylen-1-ol

C17H20O — CID 166056915

IUPAC2-tert-butyl-1-methyl-2H-acenaphthylen-1-ol
SMILESCC(C)(C)C1c2cccc3cccc(c23)C1(C)O
InChIInChI=1S/C17H20O/c1-16(2,3)15-12-9-5-7-11-8-6-10-13(14(11)12)17(15,4)18/h5-10,15,18H,1-4H3
InChIKeyZENFUDBNZDQRRY-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.19
Rot. Bonds

About 2-tert-butyl-1-methyl-2H-acenaphthylen-1-ol

2-tert-butyl-1-methyl-2H-acenaphthylen-1-ol (PubChem CID 166056915) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-2H-acenaphthylen-1-ol.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-2H-acenaphthylen-1-ol
PubChem CID166056915
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name2-tert-butyl-1-methyl-2H-acenaphthylen-1-ol
SMILESCC(C)(C)C1c2cccc3cccc(c23)C1(C)O
InChIInChI=1S/C17H20O/c1-16(2,3)15-12-9-5-7-11-8-6-10-13(14(11)12)17(15,4)18/h5-10,15,18H,1-4H3
InChIKeyZENFUDBNZDQRRY-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methyl-2H-acenaphthylen-1-ol?
The IUPAC name of 2-tert-butyl-1-methyl-2H-acenaphthylen-1-ol (CID 166056915) is 2-tert-butyl-1-methyl-2H-acenaphthylen-1-ol.
What is the SMILES notation for 2-tert-butyl-1-methyl-2H-acenaphthylen-1-ol?
The canonical SMILES for 2-tert-butyl-1-methyl-2H-acenaphthylen-1-ol is CC(C)(C)C1c2cccc3cccc(c23)C1(C)O.
What is the InChIKey of 2-tert-butyl-1-methyl-2H-acenaphthylen-1-ol?
The InChIKey is ZENFUDBNZDQRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-16(2,3)15-12-9-5-7-11-8-6-10-13(14(11)12)17(15,4)18/h5-10,15,18H,1-4H3.
What are the key properties of 2-tert-butyl-1-methyl-2H-acenaphthylen-1-ol?
2-tert-butyl-1-methyl-2H-acenaphthylen-1-ol has a molecular weight of 240.35 g/mol, XLogP of 4.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methyl-2H-acenaphthylen-1-ol is sourced from PubChem (CID 166056915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).